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Journal articles on the topic 'R3c'

Author: Grafiati

Published: 4 June 2021

Last updated: 1 February 2022

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1

Maman, Louis. "R3C." Médecine Buccale Chirurgie Buccale 23, no. 1 (2017): 3–5. http://dx.doi.org/10.1051/mbcb/2017007.

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2

Muller, Ch, J. L. Baudour, C. Bedoya, F. Bouree, J. L. Soubeyroux, and M. Roubin. "Octahedral deformations and cationic displacements in the ferroelectric PbHf0.8Ti0.2O3: a neutron powder diffraction study from 10 to 770 K." Acta Crystallographica Section B Structural Science 56, no. 1 (2000): 27–38. http://dx.doi.org/10.1107/s0108768199011453.

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Neutron powder diffraction data, collected over the temperature range 10–770 K, have been analysed in order to make a detailed characterization of the sequence of phase transitions occurring in the Hf-rich ferroelectric PbHf0.8Ti0.2O3, titanium hafnium lead oxide. Over the whole temperature range this compound undergoes two phase transitions, which involve cationic displacements and octahedral deformations (tilt and/or distortion) leading to strongly distorted perovskite-type structures. The first transition appears around 415 K between two ferroelectric rhombohedral phases: a low-temperature nonzero-tilt phase F RL (space group R3c) and an intermediate zero-tilt phase F RH (space group R3m). The second one, detected around 520 K, is associated with a ferroelectric to-paraelectric transition between the F RH phase and the P C cubic phase (space group Pm3¯m). From high-resolution neutron powder diffraction data (diffractometer 3T2-LLB, Saclay, France, λ = 1.2251 Å), the crystallographic structure of the three successive phases has been accurately determined at the following temperatures: T = 10 K (F RL): space group R3c, Z = 6, a hex = 5.7827 (1), c hex = 14.2702 (4) Å, V hex = 413.26 (2) Å3; T = 150 K (F RL): space group R3c, Z = 6, a hex = 5.7871 (1), c hex = 14.2735 (4) Å, V hex = 413.98 (3) Å3; T = 290 K (F RL): space group R3c, Z = 6, a hex = 5.7943 (1), c hex = 14.2742 (5) Å, V hex = 415.04 (3) Å3; T = 440 K (F RH): space group R3c, Z = 6, a hex = 5.8025 (1), c hex = 14.2648 (4) Å, V hex = 415.94 (3) Å3; T = 520 K (P C ): space group Pm3¯m, Z = 1, a cub = 4.1072 (2) Å, V cub = 69.29 (1) Å3. In addition, a neutron powder thermodiffractometry experiment, performed between 290 and 770 K (diffractometer D1B-ILL, Grenoble, France, λ = 2.533 Å), has been used to study in situ the temperature-induced phase transitions. From sequential Rietveld refinements, the temperature dependence of the cation displacements and the rotation and/or distortion of oxygen octahedra was derived.

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3

Chaturvedi, Smita, Rabindranath Bag, Vasant Sathe, Sulabha Kulkarni, and Surjeet Singh. "Holmium induced enhanced functionality at room temperature and structural phase transition at high temperature in bismuth ferrite nanoparticles." Journal of Materials Chemistry C 4, no. 4 (2016): 780–92. http://dx.doi.org/10.1039/c5tc02941d.

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Ho-doped sample simultaneously exhibits high-coercivity and enhanced remnant magnetization with a polar R3c symmetry at room temperature. The onset of R3c to Pnma phase transition is observed at high temperatures in the Ho-doped samples.

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4

Jeong, Young Kyu, Chung W. Bark, Sangwoo Ryu, Jung-Hoon Lee, and Hyun Myung Jang. "R3c-R3m Octahedron-tilting Transition in Rhombohedrally-distorted BiFeO3 Multiferroics." Journal of the Korean Physical Society 58, no. 4 (2011): 817–20. http://dx.doi.org/10.3938/jkps.58.817.

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5

Gamal El-Din, Tamer M., Todd Scheuer, and William A. Catterall. "Tracking S4 movement by gating pore currents in the bacterial sodium channel NaChBac." Journal of General Physiology 144, no. 2 (2014): 147–57. http://dx.doi.org/10.1085/jgp.201411210.

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Voltage-gated sodium channels mediate the initiation and propagation of action potentials in excitable cells. Transmembrane segment S4 of voltage-gated sodium channels resides in a gating pore where it senses the membrane potential and controls channel gating. Substitution of individual S4 arginine gating charges (R1–R3) with smaller amino acids allows ionic currents to flow through the mutant gating pore, and these gating pore currents are pathogenic in some skeletal muscle periodic paralysis syndromes. The voltage dependence of gating pore currents provides information about the transmembrane position of the gating charges as S4 moves in response to membrane potential. Here we studied gating pore current in mutants of the homotetrameric bacterial sodium channel NaChBac in which individual arginine gating charges were replaced by cysteine. Gating pore current was observed for each mutant channel, but with different voltage-dependent properties. Mutating the first (R1C) or second (R2C) arginine to cysteine resulted in gating pore current at hyperpolarized membrane potentials, where the channels are in resting states, but not at depolarized potentials, where the channels are activated. Conversely, the R3C gating pore is closed at hyperpolarized membrane potentials and opens with channel activation. Negative conditioning pulses revealed time-dependent deactivation of the R3C gating pore at the most hyperpolarized potentials. Our results show sequential voltage dependence of activation of gating pore current from R1 to R3 and support stepwise outward movement of the substituted cysteines through the narrow portion of the gating pore that is sealed by the arginine side chains in the wild-type channel. This pattern of voltage dependence of gating pore current is consistent with a sliding movement of the S4 helix through the gating pore. Through comparison with high-resolution models of the voltage sensor of bacterial sodium channels, these results shed light on the structural basis for pathogenic gating pore currents in periodic paralysis syndromes.

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6

Dorsey, Christopher L., and François P. Gabbaï. "R3C−H→SiFR3Agostic Interaction." Organometallics 27, no. 13 (2008): 3065–69. http://dx.doi.org/10.1021/om8002619.

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7

Chen, Xing-Yuan, Guo-Xia Lai, Di Gu, Wei-Ling Zhu, Tian-Shu Lai, and Yu-Jun Zhao. "First-principles study on the stability and magnetoelectric properties of multiferroic materials XTiO3 (X = Mn, Fe, Co, Ni)." International Journal of Modern Physics B 32, no. 09 (2018): 1850105. http://dx.doi.org/10.1142/s0217979218501059.

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The XTiO3 (X = Mn, Fe, Co and Ni) materials with R3c structure could be grown under critical conditions based on first-principles calculations and thermodynamic stability analysis. FeTiO3 and MnTiO3 could be synthesized relatively easily under metal-rich and O-poor conditions, while NiTiO3 could be stable under Ni-rich, O-rich and Ti-poor conditions. The predicted R3c CoTiO3 under thermodynamic equilibrium conditions is suggested to be synthesized under Co-rich, O-rich and Ti-poor conditions, but the calculated phonon dispersion indicates R3c CoTiO3 becomes unstable under the dynamical conditions. The ferroelectric behavior in the XTiO3 (X = Mn, Fe, Co and Ni) system could be dominated by the Ti ion with d0 state and the strong hybridization between Ti and O, while the magnetic property is mainly caused by the contribution of 3d transition metal.

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8

Deng, Xiao Ling, Wei Cai, Chun Lin Fu, et al. "Effect of Mn Substitution on Microstructures, Dielectric and Magnetic Properties of BiFeO₃ Ceramics." Materials Science Forum 815 (March 2015): 188–93. http://dx.doi.org/10.4028/www.scientific.net/msf.815.188.

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Pure BiFeO3 ceramics and BiMnxFe1-xO3 (x=0.1, 0.15, 0.2, and 0.25) ceramics were prepared by sol-gel method. A structural phase transition from rhombohedral R3c to triangle R3m occurred in Mn-doped BFO ceramics. Mn-doped BFO ceramics exhibited better crystallinity, larger dielectric constant as well as smaller dielectric loss. Besides, a small nonlinearity of magnetization-field curves M(H) was observed, the remanent magnetization increased with the increase of manganese content, and all the BiMnxFe1-xO3 ceramics showed the typical antiferromagnetic, which could be attributed to the effective decrease in the concentration of oxygen vacancies, and the corresponding structural transition.

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9

Kuz, Olena, Yurii Prots, and Leonid Vasylechko. "Phase and Crystal Structure Behaviour of Bi_1-xR_xFeO₃ (R = Er, Tm, Yb)." Solid State Phenomena 200 (April 2013): 100–107. http://dx.doi.org/10.4028/www.scientific.net/ssp.200.100.

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The title compounds were prepared by sintering of the stoichiometric amounts of the oxides of the constituent elements at 820 °C in air. X-ray powder diffraction examinations revealed that the polar R3c phase in the Bi1-xRxFeO3 systems with R = Er, Tm and Yb do not exceed 7, 4 and 3 mol.% of rare earth, respectively. Partial substitution of the Bi sites by Er and Tm in BiFeO3 reduces the temperature of the ferroelectric phase transition R3c–Pbnm on 30–60 K.

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10

Luo, Wanju, and Fangwei Wang. "Powder X-ray diffraction and Rietveld analysis of La1−xBaxCoO3 (0." Powder Diffraction 21, no. 4 (2006): 304–6. http://dx.doi.org/10.1154/1.2358363.

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Detailed structural properties of La1−xBaxCoO3 (LBCO) have been investigated by means of X-ray powder diffraction and Rietveld analysis. A structural phase transformation from R3c to Pm3m at x=0.30–0.35 has been detected based on a comparison between the refinements of R3c and Pm3m. The Co–O bond length of the CoO6 octahedron expanded rapidly with increasing Ba content when x<0.1, and then it leveled off and kept constant at 0.1⩽x⩾0.35, where the Co–O–Co bond angle reaches 180°. The Co–O bond length expansion resumed with increasing Ba content beyond x=0.35.

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11

Mitrovic, Nenad, Alfred L. George, and Richard Horn. "Role of Domain 4 in Sodium Channel Slow Inactivation." Journal of General Physiology 115, no. 6 (2000): 707–18. http://dx.doi.org/10.1085/jgp.115.6.707.

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Depolarization of sodium channels initiates at least three gating pathways: activation, fast inactivation, and slow inactivation. Little is known about the voltage sensors for slow inactivation, a process believed to be separate from fast inactivation. Covalent modification of a cysteine substituted for the third arginine (R1454) in the S4 segment of the fourth domain (R3C) with negatively charged methanethiosulfonate-ethylsulfonate (MTSES) or with positively charged methanethiosulfonate-ethyltrimethylammonium (MTSET) produces a marked slowing of the rate of fast inactivation. However, only MTSES modification produces substantial effects on the kinetics of slow inactivation. Rapid trains of depolarizations (2–20 Hz) cause a reduction of the peak current of mutant channels modified by MTSES, an effect not observed for wild-type or unmodified R3C channels, or for mutant channels modified by MTSET. The data suggest that MTSES modification of R3C enhances entry into a slow-inactivated state, and also that the effects on slow inactivation are independent of alterations of either activation or fast inactivation. This effect of MTSES is observed only for cysteine mutants within the middle of this S4 segment, and the data support a helical secondary structure of S4 in this region. Mutation of R1454 to the negatively charged residues aspartate or glutamate cannot reproduce the effects of MTSES modification, indicating that charge alone cannot account for these results. A long-chained derivative of MTSES has similar effects as MTSES, and can produce these effects on a residue that does not show use-dependent current reduction after modification by MTSES, suggesting that the sulfonate moiety can reach a critical site affecting slow inactivation. The effects of MTSES on R3C are partially counteracted by a point mutation (W408A) that inhibits slow inactivation. Our data suggest that a region near the midpoint of the S4 segment of domain 4 plays an important role in slow inactivation.

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12

Kumar, Ashwini, Poorva Sharma, and Dinesh Varshney. "Structural and Ferroic Properties of La, Nd, and Dy Doped BiFeO3 Ceramics." Journal of Ceramics 2015 (February 4, 2015): 1–8. http://dx.doi.org/10.1155/2015/869071.

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Polycrystalline samples of Bi0.8RE0.2FeO3 (RE = La, Nd, and Dy) have been synthesized by solid-state reaction route. X-ray diffraction (XRD) patterns of Bi0.8La0.2FeO3 and Bi0.8Nd0.2FeO3 were indexed in rhombohedral (R3c) and triclinic (P1) structure, respectively. Rietveld refined XRD pattern of Bi0.8Dy0.2FeO3 confirms the biphasic (Pnma + R3c space groups) nature. Raman spectroscopy reveals the change in BiFeO3 mode positions and supplements structural change with RE ion substitution. Ferroelectric and ferromagnetic loops have been observed in the Bi0.8RE0.2FeO3 ceramics at room temperature, indicating that ferroelectric and ferromagnetic ordering coexist in the ceramics at room temperature. The magnetic measurements at room temperature indicate that rare-earth substitution induces ferromagnetism and discerns large and nonzero remnant magnetization as compared to pristine BiFeO3.

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13

Weil, M. "Refinement of the crystal structure of trimercury(II) orthoborate, Hg3(BO3)2." Zeitschrift für Kristallographie - New Crystal Structures 218, no. 2 (2003): 155–56. http://dx.doi.org/10.1524/ncrs.2003.218.2.155.

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14

Xia, Daocheng, та Feng Feng. "Crystal structure of tris(1,8-diazabicyclo[5.4.0]undec-7-ene)[(μ12- phosphato)-tetracosakis(μ2-oxo)-dodecaoxo-dodeca-molybdenum], C27H51Mo12N6O40P". Zeitschrift für Kristallographie - New Crystal Structures 228, № 1 (2013): 13–14. http://dx.doi.org/10.1524/ncrs.2013.0008.

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15

Deyneko, Dina V., Darya A. Petrova, Olga N. Leonidova, Ivan V. Nikiforov, and Bogdan I. Lazoryak. "Ferroelectric properties and structural refinement of whitlockite-type phosphate Ca8.5Pb0.5Ho(PO4)7." Powder Diffraction 32, S1 (2017): S168—S171. http://dx.doi.org/10.1017/s0885715617000252.

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The system of phosphates Ca9−xPbxHo(PO4)7 were obtained by solid-state reaction and were found to be isotypic with whitlockite-type β-Ca3(PO4)2 (polar space group R3c). The crystal structure encloses five crystallographic sites M1–M5 different in size and oxygen coordination. The unit-cell parameters were determinate using Le Bail decomposition. Rietveld method structural refining showed that Ho3+ ions are located statistically with calcium in M1 and M2 sites, while Pb2+-ions are located in the M3 site. Examination of optical second-harmonic generation evidences non-linear optical activity and confirms polar space group R3c. Structural mechanisms and dielectric features of phase transitions are strongly influenced by the exact distributions of atoms over the crystallographic sites.

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16

Nomoto, Masashi, Takumi Inoshita, Yasuhide Inoue, Yoichi Horibe, and Yasumasa Koyama. "Crystallographic features in the vicinity of the morphotropic phase boundary in the multiferroic material Bi1-xSmxFeO3." MRS Advances 1, no. 9 (2016): 573–78. http://dx.doi.org/10.1557/adv.2016.155.

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ABSTRACTThe multiferroic material Bi1-xSmxFeO3 shows ferroelectric and antiferromagnetic properties in the ground state of the Bi-rich side. When the Sm content increases from x = 0 in BiFeO3, the (ferroelectric-R3c → paraelectric-Pnma) state change occurs around x = 0.14. According to the previous studies on Bi1-xSmxFeO3, the state boundary between the R3c and Pnma states can be identified as a morphotropic phase boundary (MPB), which is nearly parallel to the temperature axis in the state diagram. The notable feature of Bi1-xSmxFeO3 is that a remarkable piezoelectric response was also found near the MPB. However, the origin of the remarkable response has not been understood sufficiently. In this study, thus, the crystallographic features in the vicinity of the MPB have been examined by x-ray powder diffraction and transmission electron microscopy. It was confirmed that the R3c and Pnma states were present for 0 ≤ x ≤ 0.15 and for 0.16 ≤ x ≤ 0.30, respectively. In addition to these states, there also existed the PbZrO3-type state around x = 0.15, which was identified as a modulated structure. Based on the analysis of the modulated structure, furthermore, it was suggested that the PbZrO3-type state could be regarded as a 2q state, which is characterized by two transverse modulation waves with k1 = [1/2 0 0]o and k2 = [0 1/2 0]o in the orthorhombic-Pnma notation.

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17

Kaczkowski, Jakub, Maria Pugaczowa-Michalska, and Iwona Płowaś-Korus. "Comparative density functional studies of pristine and doped bismuth ferrite polymorphs by GGA+U and meta-GGA SCAN+U." Physical Chemistry Chemical Physics 23, no. 14 (2021): 8571–84. http://dx.doi.org/10.1039/d0cp06157c.

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The presented DFT+U calculations revealed that the doping of BiFeO<sub>3</sub> with Al and Ga reduced the energy barrier between R3c-G and Cm-C phases whereas for Sc and In the energy difference between both phases increased.

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18

Liu, Xing, Jia Fu, and Guangming Chen. "First-principles calculations of electronic structure and optical and elastic properties of the novel ABX3-type LaWN3 perovskite structure." RSC Advances 10, no. 29 (2020): 17317–26. http://dx.doi.org/10.1039/c9ra10735e.

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Using first-principles calculation, the stable R3c LaWN<sub>3</sub> as a new ABX<sub>3</sub>-type advanced perovskite structure is designed in the plan of the material genome initiative (MGI), which helps to widen the nowadays nitride perovskite material's application.

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19

Lennox, Robert C., Mark C. Price, William Jamieson, et al. "Strain driven structural phase transformations in dysprosium doped BiFeO3 ceramics." J. Mater. Chem. C 2, no. 17 (2014): 3345–60. http://dx.doi.org/10.1039/c3tc32345e.

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Chemical strain effects arising from the large size mismatch between the two A-site cations results in a lowering of the symmetry from polar R3c to a polar Cc in Bi<sub>0.95</sub>Dy<sub>0.05</sub>FeO<sub>3</sub>.

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20

Nomoto, Masashi, Takumi Inoshita, Yasuhide Inoue, Yoichi Horibe, and Yasumasa Koyama. "Characteristic Features of the Modulated Structure Appearing in the Multiferroic Material Bi_1-_xSm_xFeO₃ around x = 0.15." Materials Science Forum 879 (November 2016): 1393–98. http://dx.doi.org/10.4028/www.scientific.net/msf.879.1393.

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In Bi1-xSmxFeO3 (BSFO) having the multiferroic BiFeO3 as an end material, when the Sm content increases from x = 0, it has been reported that the ferroelectric-R3c state is changed into the paraelectric-Pnma state around x = 0.14. The R3c/Pnma state boundary around x = 0.14 can be regarded as a temperature-independent morphotropic-phase boundary (MPB). The notable feature in BSFO is that, in addition to these two states, the antiferroelectric PbZrO3-type state was also found in the vicinity of the MPB. Although the PbZrO3-type state appears as a modulated structure, its detailed features have not been understood yet. We have thus examined the crystallographic features of prepared BSFO samples around x = 0.14, mainly by transmission electron microscopy. The PbZrO3-type state was confirmed to be present in samples with x = 0.15 on the basis of x-ray powder diffraction profiles measured from prepared samples at 300 K. On the other hand, the observation made by transmission electron microscopy indicated that the state for x = 0.15 is characterized by a coexistence state consisting of the ferroelectric-R3c and antiferroelectric PbZrO3-type states. In particular, the crystal structure of the PbZrO3-type state could be identified as a modulated structure with two transverse modulation waves, whose wave vectors are given by q1 = [1/2 0 0]o and q2 = [0 1/2 0]o in the orthorhombic-Pnma notation. In addition, eigenvectors of these two transverse waves were also determined to be parallel to the same [001]o direction.

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21

Guo, Yongquan, Ping Xiao, Rui Wen, et al. "Critical roles of Mn-ions in enhancing the insulation, piezoelectricity and multiferroicity of BiFeO3-based lead-free high temperature ceramics." Journal of Materials Chemistry C 3, no. 22 (2015): 5811–24. http://dx.doi.org/10.1039/c5tc00507h.

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A lead-free multiferroic ceramic of BiFe<sub>0.96</sub>Sc<sub>0.04</sub>O<sub>3</sub>–BaTiO<sub>3</sub> is a type of ABO<sub>3</sub> perovskite structure, belonging to the R3c space group, but exhibiting poor insulation and weak multiferroicity.

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22

Xue, D. F., та S. Y. Zhang. "Structure and Non-linear Optical Properties of β -Barium Borate". Acta Crystallographica Section B Structural Science 54, № 5 (1998): 652–56. http://dx.doi.org/10.1107/s0108768198004649.

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The non-linear optical (NLO) properties of crystalline β-BaB2O4 (β-barium borate, BBO) have been investigated from the chemical bond viewpoint. The contributions of each type of chemical bond to the total NLO coefficient have been quantitatively determined. The calculations indicate that the true space group of BBO is R3 rather than R3c.

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23

Randall, C. A., M. G. Matsko, W. Cao, and A. S. Bhalla. "A transmission electron microscopy investigation of the R3m → R3c phase transition in Pb(Zr,Ti)O3 ceramics." Solid State Communications 85, no. 3 (1993): 193–95. http://dx.doi.org/10.1016/0038-1098(93)90435-p.

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24

Koval, Vladimir, Ivan Skorvanek, Juraj Durisin, et al. "Terbium-induced phase transitions and weak ferromagnetism in multiferroic bismuth ferrite ceramics." Journal of Materials Chemistry C 5, no. 10 (2017): 2669–85. http://dx.doi.org/10.1039/c6tc04060h.

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The increasing addition of Tb in the system Bi<sub>1−x</sub>Tb<sub>x</sub>FeO<sub>3</sub> produces a progressive modification of the crystal structure from rhombohedral R3c to orthorhombic Pnma which results in the appearance and enhancement of the net magnetization, with the composition x ≈ 0.15–0.20 being a promising candidate for magnetoelectric applications.

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25

Schrandt, O., and Hk Müller-Buschbaum. "K+ auf einer mit Ca2+ unterbesetzten Punktlage in Ca3( VO4)2: Ein Beitrag über KCa10V7O28 / K+ at an Deficient Ca2+ Point Position in Ca3( VO4) 2: On KCa10V7O28." Zeitschrift für Naturforschung B 51, no. 4 (1996): 473–76. http://dx.doi.org/10.1515/znb-1996-0405.

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Abstract Single crystals of K Ca10V7O28 have been prepared by crystallization from flux. The yellow-green crystals show rhombohedral symmetry (trigonal space group C63V-R3c, a = 10.830(1), c = 37.860(1) Å , Z = 6). The differences of the crystal chemistry are discussed with respect to the isotypic compound Ca3(VO4)2. K+ replaces exclusively Ca2+ ions at one deficient point position.

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26

Aatiq, Abderrahim, My Rachid Tigha, Rabia Hassine, and Ismael Saadoune. "Crystallochemistry and structural studies of two newly CaSb0.50Fe1.50(PO4)3 and Ca0.50SbFe(PO4)3 Nasicon phases." Powder Diffraction 21, no. 1 (2006): 45–51. http://dx.doi.org/10.1154/1.2104535.

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Crystallographic structures of two new orthophosphates Ca0.50SbFe(PO4)3 and CaSb0.50Fe1.50(PO4)3 obtained by conventional solid state reaction techniques at 900 °C, were determined at room temperature from X-ray powder diffraction using Rietveld analysis. The two compounds belong to the Nasicon structural family. The space group is R3 for Ca0.50SbFe(PO4)3 and R3c for CaSb0.50Fe1.50(PO4)3. Hexagonal cell parameters for Ca0.50SbFe(PO4)3 and CaSb0.50Fe1.50(PO4)3 are: a=8.257(1) Å, c=22.276(2) Å, and a=8.514(1) Å, c=21.871(2) Å, respectively. Ca2+ and vacancies in {[Ca0.50]3a[◻0.50]3b}M1SbFe(PO4)3 are ordered within the two positions, 3a and 3b, of M1 sites. Structure refinements show also a quasi-ordered distribution of Sb5+ and Fe3+ ions within the Nasicon framework. Thus, in {[Ca0.50]3a[◻0.50]3b}M1SbFe(PO4)3, each Ca(3a)O6 octahedron shares two faces with two Fe3+O6 octahedra and each vacancy (◻(3b)O6) site is located between two Sb5+O6 octahedra. In [Ca]M1Sb0.50Fe1.50(PO4)3 compound (R3c space group), all M1 sites are occupied by Ca2+ and the Sb5+ and Fe3+ ions are randomly distributed within the Nasicon framework.

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27

Vyshatko, N. P., V. V. Kharton, A. L. Shaula та F. M. B. Marques. "Powder X-ray diffraction study of LaCo0.5Ni0.5O3−δ and LaCo0.5Fe0.5O3−δ". Powder Diffraction 18, № 2 (2003): 159–61. http://dx.doi.org/10.1154/1.1556991.

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The crystal structures of LaCo0.5Ni0.5O3−δ and LaCo0.5Fe0.5O3−δ solid solutions, studied by powder X-ray diffraction, were found to be rhombohedral perovskite. The unit cell parameters in the hexagonal setting are a=5.491(6) Å and c=13.231(3) Å for LaCo0.5Fe0.5O3−δ, and a=5.464(4) Å and c=13.125(3) Å for LaCo0.5Ni0.5O3−δ. The space group is R3c (No. 167).

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28

Chang, Yu Ting, Yu-Chun Wang, Sz-Nian Lai, Chun-Wei Su, Chyi-Ming Leu, and Jyh Ming Wu. "Performance of hydrogen evolution reaction of R3C ferroelectric ZnSnO3 nanowires." Nanotechnology 30, no. 45 (2019): 455401. http://dx.doi.org/10.1088/1361-6528/ab35f9.

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29

Kumari, Rekha, N. Ahlawat, Ashish Agarwal, M. Sindhu, and N. N. Ahlawat. "Structural and Dielectric Properties of Na_0.5Bi_0.5TiO₃ Ferroelectric Ceramics." Advanced Materials Research 585 (November 2012): 219–23. http://dx.doi.org/10.4028/www.scientific.net/amr.585.219.

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Na0.5Bi0.5TiO3 (NBT) ceramics were synthesized by conventional solid state reaction method. Structural and dielectric properties of these ceramics were investigated. Crystalline phase of sintered ceramics was investigated by X-ray diffraction (XRD). The Rietveld refinement of powder X-ray diffraction revealed that the prepared ceramics exhibit the rhombohedral space group R3c. Dielectric properties of Na0.5Bi0. analyzer.5TiO3 (NBT) ceramics were studied at different temperatures in a wide frequency range using impedance

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30

Pilone, Eleonora, Micaela Demichela, and Gabriele Baldissone. "The Multi-Risk Assessment Approach as a Basis for the Territorial Resilience." Sustainability 11, no. 9 (2019): 2612. http://dx.doi.org/10.3390/su11092612.

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The deep modifications to climate are currently provoking risks of increasing impact, that can cause unexpected consequences, interacting with other risks. However, the available planning regulations and instruments appear inadequate to face this challenge, most of all at a local scale. This paper presents a semi-quantitative methodology for the assessment of multiple risks, developed for the direct use of the municipality technicians, in order to increase their awareness towards multiple risks and unexpected events that could hit their territory. The methodology is based on the assignation of rates to the risks, and on a simple calculation of the binary interactions. It was tested on two Italian case studies, revealing a good feasibility in the results obtained for the interactions, and highlighting some problems neglected in the sectorial risk plans. The methodology is a background knowledge of the ‘Responsible Risk Resilience Center’ (R3C) of Politecnico di Torino, and it was furtherly developed through an in-depth analysis of the territorial vulnerabilities. This paper introduces two new indicators of sensitivity towards external risks, related to fire and flood risks, proposed for the application at a local scale. The indicators belong to a wider R3C framework in the phase of development to operationalize resilience.

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31

Schmidt, Horst, Iris Paschke, and Wolfgang Voigt. "LiNa3(SO4)2·6H2O: a lithium double salt causing trouble in the industrial conversion of Li2SO4 into LiOH." Acta Crystallographica Section E Crystallographic Communications 77, no. 9 (2021): 924–29. http://dx.doi.org/10.1107/s2056989021008057.

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Lithium trisodium bis(sulfate) hexahydrate, LiNa3(SO4)2·6H2O was crystallized from aqueous solution at 298 K and the structure solved at different temperatures between 90 and 293 K. The structure is isomorphic with the corresponding molybdate and selenate double salt hydrate. It belongs to the non-centrosymmetric trigonal space group R3c (161). The temperature dependence of the lattice parameters has been determined. Further characterization by powder XRD and thermal analysis is reported.

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32

Jones, G. O., J. Kreisel, and P. A. Thomas. "A structural study of the (Na1−xKx)0.5Bi0.5TiO3 perovskite series as a function of substitution (x) and temperature." Powder Diffraction 17, no. 4 (2002): 301–19. http://dx.doi.org/10.1154/1.1505047.

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Rietveld neutron powder profile analysis of the (Na1−xKx)0.5Bi0.5TiO3 (NKBT) series (x=0, 0.2, 0.4, 0.5, 0.6, 0.8, 1.0) is reported over the temperature range 293–993 K. A detailed characterization of the structures and phase transitions occurring across this series as a function of temperature has been made. Room-temperature refinements have revealed a rhombohedral phase, space group R3c for x=0, 0.2, and 0.4, which exhibits an antiphase, a−a−a− oxygen tilt system with parallel cation displacements along [111]p. An intermediate zero-tilt rhombohedral phase, space group R3m possessing cation displacements along [111]p, has been established for x=0.5 and 0.6. At the potassium-rich end of the series at x=0.8 and 1.0, a tetragonal phase, space group P4mm is observed possessing cation displacements along [001]. At the sodium-rich end of the series for x=0.2, the unusual tetragonal structure with space group P4bm is seen for Na0.5Bi0.5TiO3 which possesses a combination of in-phase a0a0c+ tilts and antiparallel cation displacements along the polar axis. Temperature-induced phase transitions are reported and structural modifications are discussed.

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Blanchard, Peter, Brendan Kennedy, and Chris Ling. "Studying the structural and electronic effects of substituted (Bi0.5Na0.5)TiO3." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C1522. http://dx.doi.org/10.1107/s2053273314084770.

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Significant efforts have been made in the development of (Bi0.5Na0.5)TiO3 ferroelectrics as an alternative to the lead-based industry standard PbTi1-xZrxO3.[1] It has also been shown that doping the A- and B-site of (Bi0.5Na0.5)TiO3 can greatly improve the ferroelectric behavior of these materials,[2] possibly due to the formation of two or more ferroelectric phases at a morphotropic phase boundary (MPB). As such, there is a significant interest in understanding the structural changes in (Bi0.5Na0.5)TiO3-based solid solutions. (Bi0.5Na0.5)TiO3 was originally described as adopting a rhombohedral structure in space group R3c, However, the accuracy of this description has been greatly debated. It was recently suggested that (Bi0.5Na0.5)TiO3 actually adopts a monoclinic structure in space group Cc.[3] Given this recent controversy, we investigated the structural evolution of (Bi0.5Na0.5)TiO3-based solid solutions, particularly the (Bi0.5Na0.5)Ti1-xZrxO3 and (1-x)(Bi0.5Na0.5)TiO3–xBiFeO3 solid solutions., using both diffraction and spectroscopy techniques. Diffraction measurements on (Bi0.5Na0.5)TiO3 confirm that both monoclinic Cc and rhombohedral R3c phases are present at room temperature. Diffraction analysis showed that doping (Bi0.5Na0.5)TiO3 with a small amount of (Bi0.5Na0.5)ZrO3 and BiFeO3 can stabilizes the rhombohedral phase. The Ti/Fe K-edge and Zr L3-edge XANES spectra analysis was performed to determine the effects doping has on the local displacement of the B-site cations.

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Hsu, R., E. N. Maslen, D. du Boulay, and N. Ishizawa. "Synchrotron X-ray Studies of LiNbO3 and LiTaO3." Acta Crystallographica Section B Structural Science 53, no. 3 (1997): 420–28. http://dx.doi.org/10.1107/s010876819600777x.

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The structural geometry, vibrations and deformation density Δρ for lithium niobate, LiNbO3, and lithium tantalate, LiTaO3, are derived from synchrotron radiation diffraction measurements. Electron density is transferred from the Nb (Ta) atom towards the large O3 triangle near the Li atom. Spontaneous polarizations of 0.43 (LiNbO3) and 0.33 cm−2 (LiTaO3), calculated with Hirshfeld charges, agree qualitatively with experimental values of 0.71 and 0.50 −2, respectively. Both strong Li...Nb (Ta) interactions in the structure are markedly shorter than all Li...Li, Nb...Nb or Ta...Ta vectors, as expected if the Li and Nb (Ta) cations carry charges of opposite sign. The Li atom's negative charge plays a pivotal role in the polarization responsible for ferroelectricity. LiNbO3, space group R3c, rhombohedral, M r = 147.8, a = 5.493 (2) Å, α = 55.89 (3)°, V = 106.02 (4) Å3, Z = 2, D x = 4.629 Mg m−3, F(000) = 136, μ(0.7 Å) = 5.01 mm−l, y min = 0.27, T = 293 K, R = 0.015, wR = 0.015, S = 3.276 (84) for 773 unique reflections. LiTaO3, R3c, rhombohedral, M r = 235.9, a = 5.471 (2) Å, α = 56.16 (3)°, V = 105.51 (4) Å3, Z = 2, D x = 7.412 Mg m−3, F(000) = 200, μ(0.7 Å) = 50.03 mm−1, y min = 0.32, T = 293 K, R = 0.016, wR = 0.022, S = 1.372(35) for 773 unique reflections.

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35

ten Elshof, Johan E., and Jaap Boeijsma. "Powder diffraction of La1−xAxCo0.8Fe0.2O3(A=Sr,Ba)." Powder Diffraction 11, no. 1 (1996): 28–30. http://dx.doi.org/10.1017/s0885715600008861.

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Powder X-ray diffraction data are reported for La1−xSrxCo0.8Fe0.2O3 (x=0.2, 0.4) and La0.8Ba0.2Co0.8Fe0.2O3. The powders were prepared by thermal decomposition of metal-containing complex solutions. All compositions have rhombohedral unit cells. In hexagonal setting, the cell parameters are a=5.4451(2) Å, c=13.2553(2) Å for La0.6Sr0.4Co0.8Fe0.2O3; a=5.4556(3) Å, c=13.1999(2) Å for La0.8Sr0.2Co0.8Fe0.2O3 and a=5.4795(1) Å, c=13.2983(5) Å for La0.8Ba0.2Co0.8Fe0.2O3. The space group is probably R3c (167) for all three compositions.

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36

Petrova, Daria, Dina Deyneko, Sergey Stefanovich, and Bogdan Lazoryak. "Crystal structure refinement of new vanadates Ca8−xPbxCdBi(VO4)7." Powder Diffraction 32, S1 (2017): S106—S109. http://dx.doi.org/10.1017/s0885715617000264.

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New Ca8−xPbxCdBi(VO4)7 with the whitlockite-type structure were prepared by a standard solid-state method in air. Le Bail decomposition was used to determine unit-cell parameters. Structural refining was carried out by Rietveld's method. It is found that Bi3+ cations located partially in M1 and M2 sites along with calcium, while M3 site is settled in half by Pb2+-ions. Second-harmonic generation demonstrate highest non-linear optical activity and along with dielectric investigations indicate polar space group R3c.

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37

Mudring, Anja-Verena, and Martin Jansen. "Darstellung und Kristallstruktur von Cs6Cl4O / Preparation and Crystal Structure of Cs6Cl4O." Zeitschrift für Naturforschung B 56, no. 2 (2001): 209–12. http://dx.doi.org/10.1515/znb-2001-0213.

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Abstract The solid state synthesis and the crystal structure of Cs6Cl4O(Pearson-code hR22, R3c, a = 1324.7(6), c = 1658(1) pm, Z = 6, 931 reflections with Io > 2σ(I), R1 = 0.040, wR2 = 0.114) are reported. The compound crystallises isotypically with Rb6Cl4O in the anti-K4CdCl6 type of structure. The structure consists of infinite chains of alternating face-sharing OCs6 octahedra and ClCs6 trigonal prisms which are separated by chloride anions. The underlying structural concept and the analogy to perovskites are outlined.

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38

Marsh, R. E. "The perils of Cc revisited." Acta Crystallographica Section B Structural Science 53, no. 2 (1997): 317–22. http://dx.doi.org/10.1107/s010876819601381x.

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The space groups of 98 structures originally reported in Cc are revised. In 75 cases the revised space group is C2/c and the revision entails adding a center of symmetry, usually leading to large changes in bond lengths and angles. In the remaining 23 cases, where the revised space group is Fdd2, R3c or (in one case) I\overline 4c2, the lattice type is changed but no center is added; in these cases the molecular dimensions are effectively unchanged.

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39

Paiva-Santos, C. O., R. F. C. Marques, M. Jafelicci, and L. C. Varanda. "X-ray powder data and bond valence of La0.65Sr0.35MnO3 after Rietveld refinement." Powder Diffraction 17, no. 2 (2002): 149–52. http://dx.doi.org/10.1154/1.1481522.

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Powder X-ray diffraction (XRD) data were collected for La0.65Sr0.35MnO3 prepared through an alternative method from a stoichiometric mixture of Mn2O3, La2O3, and SrO2, fired at 1300 °C for 16 h. XRD analysis using the Rietveld method was carried out and it was found that manganite has rhombohedral symmetry (space group R3c). The lattice parameters are found to be a=5.5032 Å and c=13.3674 Å. The bond valence computation indicates that the initial inclusion of Sr occurs at higher temperature.

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40

Tanizawa, Kana, Sayuri Uchida, Eri Kurihara, Takuya Umehara, and Koji Tamura. "The Kiss Switch Brings Inactive R3C Ligase Ribozyme Back to Life." Biology 7, no. 1 (2018): 7. http://dx.doi.org/10.3390/biology7010007.

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Li, Qiang, Zelong He, and Qilong Cao. "Theoretical study of the R3c-to-Pnma phase transition in BiAlO3." Computational Materials Science 152 (September 2018): 211–16. http://dx.doi.org/10.1016/j.commatsci.2018.05.053.

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42

Садыков, С. А., Н. М.-Р. Алиханов, С. Н. Каллаев та ін. "Структура и диэлектрические свойства наноструктурированной керамики Bi-=SUB=-1-x-=/SUB=-Sm-=SUB=-x-=/SUB=-FeO-=SUB=-3-=/SUB=-". Физика твердого тела 61, № 11 (2019): 2097. http://dx.doi.org/10.21883/ftt.2019.11.48413.530.

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The structure and dielectric properties of polycrystalline multiferroics of the Bi1-xSmxFeO3 system (x = 0-0.2) are investigated. X-ray diffraction revealed that two phases coexist in the x = 0.1 nanostructured sample: rhombohedral R3c and orthorhombic Pbam. On the temperature dependences of the dielectric constant ε'(T), four anomalies characteristic of phase transformations were found in the temperature range of ~ 180°С, ~ 250°С, ~ 300°С and TN ~ 350°С. It is shown that with increasing samarium concentration, the dielectric constant ε' increases, and tgδ decreases

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Deyneko, Dina, Sergey Stefanovich, and Bogdan Lazoryak. "Crystal structure of new phosphates Ca9–xPbxEu(PO4)7 from Rietveld refinement." Powder Diffraction 30, S1 (2015): S101—S103. http://dx.doi.org/10.1017/s0885715615000068.

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New phosphates Ca9–xPbxEu(PO4)7 were obtained by solid state reaction techniques at 1213–1253 K in air atmosphere and were found to be isotypic with whitlockite-type β-Ca3(PO4)2. The unit cell parameters were determinate using Le Bail decomposition. Rietveld method structural refining showed that Eu3+ ions are located statistically with calcium in M1, M2, and M3 sites, whereas Pb2+-ions are preferentially located in the M3. Examination of optical second harmonic generation evidences nonlinear optical activity and confirms polar space group R3c.

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44

Yoshimura, Sho, Yuji Noguchi, and Masaru Miyayama. "Crystal Growth and Electric-Field-Induced Strain in Bi_0.5Na_0.5TiO₃ Crystals." Key Engineering Materials 320 (September 2006): 35–38. http://dx.doi.org/10.4028/www.scientific.net/kem.320.35.

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Large Bi0.5Na0.5TiO3 (BNT) single crystals with 10 mm × 10 mm × 5 mm were successfully grown by a flux method using BNT powder and the mixed flux composed of Bi2O3 and NaF. Dielectric measurements show a dielectric-permittivity peak at 310°C, which is the result of the gradual phase transition from rhombohedral (R3c) to tetragonal (P4bm) structure. Electric-field induced strain measurements along [100]C reveal that the effective piezoelectric strain constant (d33 *) was estimated to be 130 pm/V in a multidomain state.

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45

Mansour, S. F., N. I. Abu-Elsaad, and T. A. Elmosalami. "Magnetoelectric and magnetic studies of the Bi1–xCaxFeO3 multiferrioc system." Canadian Journal of Physics 92, no. 5 (2014): 389–94. http://dx.doi.org/10.1139/cjp-2012-0282.

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Bi1–xCaxFeO3 was prepared by the flash autocombustion combustion technique. X-ray diffraction analysis showed a Rhombohedrally distorted hexagonal perovskite structure with space group R3c. The particle size and shape were studied by transmission electron microscope. Magnetization studies at room temperature showed superparamagnetic behavior for the prepared nanoparticles. Magnetoelectric coefficient characterized as magnetic field – induced polarization was investigated. The Lande factor (g), resonance field (Br), relaxation time (τ), and the energy between two adjacent degenerate spin energy levels (ΔE) were estimated from the electron spin resonance spectra.

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46

Lazoryak, Bogdan I., Dina V. Deyneko, Sergey M. Aksenov, et al. "Pure, lithium- or magnesium-doped ferroelectric single crystals of Ca9Y(VO4)7: cation arrangements and phase transitions." Zeitschrift für Kristallographie - Crystalline Materials 233, no. 7 (2018): 453–62. http://dx.doi.org/10.1515/zkri-2017-2132.

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Abstract Single crystals of Ca9Y(VO4)7 (1), Ca9Y(VO4)7:Li+ (2) and Ca9Y(VO4)7:Mg2+ (3) were grown by the Czochralski method. Their chemical composition was analyzed by ICP spectroscopy and their crystal structure was examined by single crystal X-ray analysis. The crystals are characterized by trigonal symmetry, space group R3c. Hexagonal unit-cell parameters are as follows: a=10.8552(1) Å, c=38.0373(2) Å, V=3881.65(1) Å3 for 1; a=10.8570(1) Å, c=38.0161(3) Å, V=3880.77(4) Å3 for 2; a=10.8465(1) Å, c=38.0366(2) Å, V=3875.36(3) Å3 for 3. All crystals are characterized by β-Ca3(PO4)2-type structure with statistical distribution of Ca2+ and Y3+ over M1, M2 and M5 sites in different ratios and with completely empty M4-cationsite. The impurity of Mg2+cations in structure 2 has been detected in octahedral M5 site. Ferroelectric phase transitions are evidenced by DSC and SHG. At about 1220 and 1300 K, they demonstrate phase transitions. Upon heating the symmetry of the crystal structure changes according to the scheme R3c→R3̅c→R3̅m and is restored during consequent cooling. The first of them is of ferroelectric and the second of non-ferroelectric nature. Even a small amount of impurities in Ca9Y(VO4)7 structure is accompanied by a noticeable decrease in the temperature of the ferroelectric-paraelectric phase transition.

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Solimannejad, Mohammad, Zahra Rezaei, and Mehdi D. Esrafili. "Interplay and competition between the lithium bonding and halogen bonding: R3C···XCN···LiCN and R3C···LiCN···XCN as a working model (R = H, CH3; X = Cl, Br)." Molecular Physics 112, no. 13 (2013): 1783–88. http://dx.doi.org/10.1080/00268976.2013.864426.

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48

Yao, Qing Rong, Yi Hao Shen, Peng Cheng Yang, Huai Ying Zhou, Guang Hui Rao, and Jian Qiu Deng. "Structural Evolution and Physical Properties of Nano-Crystalline BiFeO₃." Materials Science Forum 852 (April 2016): 199–204. http://dx.doi.org/10.4028/www.scientific.net/msf.852.199.

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The effect of temperature on the structural evolution and physical properties of nanocrystalline BiFeO3 compound has been studied systematically. The results show that the compound crystallizes in the hexagonal LiNbO3 type-structure (space group R3c) and the structural characterization was a=b=5.5979 Å, c=13.9163 Å and V=387.43 Å3. The average crystallite size was about 32.5 nm. The Neel temperature was the same in the vacuum and air conditions, but the decomposition temperature in the air condition was higher 190°C than that of the vacuum condition.

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49

MORISHITA, AKIFUMI, YUUKI KITANAKA, MAKOTO IZUMI, YUJI NOGUCHI, and MASARU MIYAYAMA. "ENHANCED PIEZOELECTRIC PROPERTIES IN (Bi0.5K0.5)TiO3–(Bi0.5Na0.5)TiO3 FERROELECTRIC SINGLE CRYSTALS." Journal of Advanced Dielectrics 01, no. 01 (2011): 63–69. http://dx.doi.org/10.1142/s2010135x11000082.

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Single crystals of x( Bi,K ) TiO 3 - (1 - x)( Bi,Na ) TiO 3 (0.11 ≤ x ≤ 0.47) were grown by a flux method and their polarization and piezoelectric properties were investigated along 〈100〉 cubic at 25°C. Rietveld analysis of powder X-ray diffraction data provides a tentative phase diagram in this system: rhombohedral R3c for x ≤ 0.22, pseudocubic for 0.22 < x < 0.3 and tetragonal P4mm for 0.3 ≤ x. Piezoelectric strain properties show that the crystals (x = 0.38) exhibited an extremely large piezoelectric strain constant of 637 pm/V.

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Mir, M., V. R. Mastelaro, P. P. Neves, et al. "X-ray powder diffraction structural characterization of Pb1 − x Ba x Zr0.65Ti0.35O3 ceramic." Acta Crystallographica Section B Structural Science 63, no. 5 (2007): 713–18. http://dx.doi.org/10.1107/s0108768107022197.

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The structure of Pb1 − x Ba x Zr0.65Ti0.35O3 (PBZT) ceramic materials with 0.00 ≤ x ≤ 0.40 was studied using synchrotron X-ray powder diffraction data. According to the Rietveld refinements, the structure of PBZT ceramics with x = 0.00, 0.10 and 0.20 at room temperature was rhombohedral R3c. A phase transition from rhombohedral to cubic was observed at 543 and 463 K for x = 0.10 and 0.20, respectively. The refinement for the compositions x = 0.30 and x = 0.40 showed a cubic structure from 10 to 450 K, in good agreement with the dielectric properties of these samples.

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