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Journal articles on the topic 'Hexagonal bipyramid structure'

Author: Grafiati

Published: 5 June 2025

Last updated: 1 August 2025

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1

Nordlander, Johanna, Margaret A. Anderson, Charles M. Brooks, Megan E. Holtz, and Julia A. Mundy. "Epitaxy of hexagonal ABO₃ quantum materials." Applied Physics Reviews 9, no. 3 (2022): 031309. http://dx.doi.org/10.1063/5.0098277.

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Hexagonal ABO3 oxides ( A, B = cation) are a class of rich materials for realizing novel quantum phenomena. Their hexagonal symmetry, oxygen trigonal bipyramid coordination, and quasi-two dimensional layering give rise to properties distinct from those of the cubic ABO3 perovskites. As bulk materials, most of the focus in this class of materials has been on the rare-earth manganites, RMnO3 ( R = rare earth); these materials display coupled ferroelectricity and antiferromagnetic order. In this review, we focus on the thin-film manifestations of the hexagonal ABO3 oxides. We cover the stability

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2

López-Alvarez, Miguel Ángel, Jorge Manuel Silva-Jara, Jazmín Guadalupe Silva-Galindo, et al. "Determining the Photoelectrical Behavior and Photocatalytic Activity of an h-YMnO3 New Type of Obelisk-like Perovskite in the Degradation of Malachite Green Dye." Molecules 28, no. 9 (2023): 3932. http://dx.doi.org/10.3390/molecules28093932.

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YMnO3 is a P-type semiconductor with a perovskite-type structure (ABO3). It presents two crystalline systems: rhombohedral and hexagonal, the latter being the most stable and studied. In the hexagonal system, Mn3+ ions are coordinated by five oxygen ions forming a trigonal bipyramid, and the Y3+ ions are coordinated by five oxygen ions. This arrangement favors its ferroelectric and ferromagnetic properties, which have been widely studied since 1963. However, applications based on their optical properties have yet to be explored. This work evaluates the photoelectric response and the photocatal

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3

Li, Yaping, S. V. Krivovichev, and P. C. Burns. "The crystal structure of Na4(UO2)(CO3)3 and its relationship to schröckingerite." Mineralogical Magazine 65, no. 2 (2001): 297–304. http://dx.doi.org/10.1180/002646101550262.

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AbstractCrystals of the compound Na4(UO2)(CO3)3 have been synthesized and the structure has been solved. It is trigonal with a= 9.3417(6), c = 12.824(1) Å, V = 969.2(1) Å3, space group P3̄c1 and Z = 4. The structure was refined on the basis of F2 (wR2 = 4.2%) for all unique data collected using Mo-Kα X-radiation and a CCD-based detector. The final R1 was 2.0%, calculated for 534 unique observed (Fo ≥ 4σF) reflections, and the goodness-of-fit (S) was 0.91. The structure contains a uranyl tricarbonate cluster composed of a uranyl hexagonal bipyramid that shares three equatorial edges with CO3 tr

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4

Amirkhanov, Vladimir M., Joachim Sieler, Victor A. Trush, Vladimir A. Ovchynnikov, and Konstantin V. Domasevitch. "Synthesis, IR and X-Ray Studies of a Dioxouranium(VI) Nitrate Complex with N,N′-Tetraethyl-N″ -trichloracetylphosphortriamide." Zeitschrift für Naturforschung B 52, no. 10 (1997): 1194–98. http://dx.doi.org/10.1515/znb-1997-1008.

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A new dioxouranium(VI) nitrate complex with N,N′-tetraethyl-N″-trichloracetylphosphortriamide (HL = CCl3C(O)N(H)P(O)(NEt2)2) of composition UO2 (HL)2(NO3)2 (1) has been synthesised. The IR spectroscopic data reveal that the ambidentate ligand is coordinated to the metal center in a monodentate manner via the phosphoryl oxygen atom. The crystal and molecular structure of 1 has been determined from X-ray diffraction data (triclinic, space group P1̄ with a = 9.225(2), b = 10.360(2), c = 12.249(2) Å, α = 100.02 (1), β = 103.81(1), γ = 108.80 (1)°, Z = 1; R = 0.037 for 4092 unique reflections. The

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Aitken, Jennifer A., and Mercouri G. Kanatzidis. "New Information on the Na-Ti-Se Ternary System." Zeitschrift für Naturforschung B 56, no. 1 (2001): 49–56. http://dx.doi.org/10.1515/znb-2001-0108.

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Abstract Molten Salt Fluxes, Polychalcogenide, Polyselenide Na2Ti2Se9 was first discovered in the quaternary system Na/Ti/P/Se, but it can be prepared rationally by dissolving Ti in a Na2Sex flux at 375 °C. The silverish dark red crystals are air-and water-stable. A new method for synthesizing Na4TiSe4 is also reported. Na2Ti2Se9 crystallizes in space group P21, with a = 12.785(4), b = 14.848(4), c = 13.961(4) Å, ß = 94.556(4)°, R1 = 0.0592 and wR2 = 0.1336. The structure is similar to that of KsNaTi6Se27. It contains infinite one dimensional chains which run parallel to the c-axis and contain

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6

Philippo, S., J. Naud, J. P. Declercq, and J. Feneau-Dupont. "Structure refinement and X-ray powder diffraction data for kalipyrochlore (K,Sr,Na,Ca,H2O)2−m(Nb,Ti)2−xO6−wY1−n, with (0." Powder Diffraction 10, no. 3 (1995): 180–84. http://dx.doi.org/10.1017/s088571560001469x.

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The kalipyrochlore (K,Sr,Na,Ca,H2O)2−m(Nb,Ti)2−xO6−wY1−n, with (0<m<0.8, x∼0.2, w = 0 and 0.2<n<1) from Lueshe, Zaire is a defect pyrochlore species whose A-site weakly depleted. The measured powder diffraction is presented with a calculated figure of merit F(30) = 74.7(0.010,39). The structure has been refined by single-crystal from X-ray diffraction data collected on a Huber four-circle diffractometer and by Rietveld analysis from X-ray powder diffraction data. The slightly weathered crystal (studied by single crystal) has a cubic pyrochlore-type structure with the same atomic po

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7

Akifyev, Kirill, Nikita Kharin, Evgeny Statsenko, Oskar Sachenkov, and Pavel Bolshakov. "Pilot study of lattice endoprosthesis buckling by compression in-situ using X-ray tomography." Russian journal of biomechanics. 27, no. 4 (2023): 32–39. http://dx.doi.org/10.15593/rjbiomech/2023.4.03.

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Take into account additive manufacturing while design lattice implant can improve load-bearing properties and decrease construction weight. The usage of lattice structure and biomaterials makes it possible to solve the main problem of arthroplasty – preservation of the implant after surgery in the patient's body. Unfortunately, nowadays biomaterials do not have the necessary strength capacity. In spite of this, a lot of researches are directed towards to develop new design methods or improve the existing ones. There are number of articles focused on in-situ testing and quality control of latti

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8

Priyadharshini, S. Shwetha, Jayachamarajapura Pranesh Shubha, Jaydev Shivalingappa, et al. "Photocatalytic Degradation of Methylene Blue and Metanil Yellow Dyes Using Green Synthesized Zinc Oxide (ZnO) Nanocrystals." Crystals 12, no. 1 (2021): 22. http://dx.doi.org/10.3390/cryst12010022.

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In this work, ZnO nanocrystals (NCs) have been effectively synthesized by a simple, efficient and cost-effective method using coconut husk extract as a novel fuel. The synthesized NCs are characterized by UV-Vis, XRD, FT-IR, SEM, EDX, Raman and PL studies. The obtained ZnO were found to be UV-active with a bandgap of 2.93 eV. The X-ray diffraction pattern confirms the crystallinity of the ZnO with hexagonally structured ZnO with a crystallite size of 48 nm, while the SEM analysis reveals the hexagonal bipyramid morphology. Photocatalytic activities of the synthesized ZnO NCs are used to degrad

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9

Buck, Edgar C. "Interpreting Uranyl Mineral Diffraction Patterns." Microscopy and Microanalysis 4, S2 (1998): 560–61. http://dx.doi.org/10.1017/s1431927600022923.

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Secondary phases that form during the corrosion of nuclear waste forms may influence both the rate of waste form dissolution and the release of radionuclides [1]. The identification of these phases is critical in developing models for the corrosion behavior of nuclear waste forms. In particular, the secondary uranyl (VI) minerals that form during waste form alteration may control uranium solubility and release of radionuclides incorporated into these phases [2].The U6+ cation in uranyl minerals is almost always present as a linear (UO2)2+ ion [3]. This uranyl (Ur) ion is coordinated by four, f

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10

Melker, A. I., A. N. Matvienko, and M. A. Krupina. "Isomers of Fullerenes C58 to C60." Interdisciplinary Journal Nonlinear Phenomena in Complex Systems 27, no. 2 (2024): 163–84. https://doi.org/10.5281/zenodo.12621762.

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We have designed possible structures of isomers of fullerenes from C<sub>58</sub> to C<sub>60</sub>. The fullerenes studied refer to four-, five- and six-fold symmetry, they being divided into two classes, perfect (basic) having ordinary symmetry and intermediate having topological symmetry. We have used three the most natural mechanisms of their formation, namely, fusion of carbon cupolas having the same symmetry; fusion of fullerenes having compatible symmetry and embedding carbon dimers into the hexagons with a specific surrounding of initial fullerenes. The energies of the fullerenes calcu

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Gao, Y., та A. Le Bail. "Di-μ-fluoro-bis[aqua-(dimethyl sulfoxide)-trifluorozirconium(IV)]". Powder Diffraction 25, № 4 (2010): 329–35. http://dx.doi.org/10.1154/1.3499814.

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[Zr2F8(dmso)2(H2O)2], a dehydration product of [ZrF4(dmso)(H2O)2]⋅2H2O, crystallizes in the orthorhombic symmetry [space group Cmca, a=7.8266(3) Å, b=13.5847(5) Å, c=15.6119(6) Å, and Z=4]. The structure, solved ab initio in direct space from X-ray powder diffraction data, is built up from [Zr2F8O4] bipolyhedra formed by edge sharing of [ZrF5O2] pentagonal bipyramids (condensed from isolated [ZrF4O3] pentagonal bipyramids in the precursor). Difficulties associated with a fortuitous hexagonal pseudosymmetry were surmounted. The dmso departure at 220 °C leads to an amorphous phase.

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12

Dal Bo, Fabrice, Sergey M. Aksenov та Peter C. Burns. "Mg[(UO2)2(Ge2O6(OH)2]·(H2O)4.4, a novel compound with mixed germanium coordination: cation disordering and topological features of β-U3O8 type sheets". Zeitschrift für Kristallographie - Crystalline Materials 234, № 6 (2019): 383–93. http://dx.doi.org/10.1515/zkri-2018-2156.

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Abstract A novel hydrated magnesium uranyl germanate, Mg[(UO2)2(Ge2O6(OH)2)]·(H2O)4.4, has been synthesized under hydrothermal conditions at 200 °C. The orthorhombic unit-cell parameters are a=10.829(6), b=7.625(4), c=16.888(10) Å, V=1394.5(1) Å3, space group Cmcm, Z=4. The crystal structure is based on β-U3O8-type sheets of corner- and edge-sharing U6+O7 pentagonal bipyramids. The GeO3(OH) tetrahedra and GeO4(OH) trigonal bipyramids are linked to form [Ge2φ8] diortho groups that fill the hexagonal-shaped windows within the sheets. The uranyl germanate layers are connected through Mgφ6 octahed

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13

Werner, J. P., and Hk Müller-Buschbaum. "Synthese und Kristallstruktur von Pb2LnAl3O8 (Ln = Eu, Gd) / Synthesis and Crystal Structure of Pb2LnAl3O8 (Ln = Eu, Gd)." Zeitschrift für Naturforschung B 51, no. 6 (1996): 883–87. http://dx.doi.org/10.1515/znb-1996-0620.

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Abstract Single Crystals of Pb2LnAl3O8 (Ln = Eu, Gd) have been prepared by flux techniques. The compounds crystallize with cubic symmetry, space group Oh-Pn3̅m, a(Eu) = 9.4578(5), a(Gd) = 9.4448(7) Å, Z = 4. The crystal structure is characterized by heterocubane units of the type Pb4O4 and hexagonal bipyramids of oxygen around the rare earth ions. These components form a network made of macro polyhedra of the type Pb4O4- LnO6- Pb4O4

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14

Zhang, A. M., G. T. Zhou, J. Sun, T. Xu, L. L. Guo, and X. S. Wu. "Effect of Dy-doping on the microstructure and magnetic properties of Y1−xDyxMnO3." Powder Diffraction 28, S1 (2013): S45—S49. http://dx.doi.org/10.1017/s0885715613000444.

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The effect of Dy3+ doping at A-site in hexagonal YMnO3 on the microstructure and magnetic properties was studied. Polycrystalline Y1−xDyxMnO3 samples with x ranging from 0 to 1 were synthesized by the solid-state reaction method. The microstructures of all the samples were studied by X-ray diffraction, which shows that Y1−xDyxMnO3 with a low concentration (x ≤ 0.5) of Dy3+ retains a hexagonal symmetry. The crystal structure refinements of the hexagonal Y1−xDyxMnO3 using the Rietveld method show that the unit-cell parameters of a, c, and unit-cell volume increase with increasing Dy doping, whil

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15

Conrad, Matthias, Bernd Harbrecht, Thomas Weber, Daniel Y. Jung, and Walter Steurer. "Large, larger, largest – a family of cluster-based tantalum copper aluminides with giant unit cells. II. The cluster structure." Acta Crystallographica Section B Structural Science 65, no. 3 (2009): 318–25. http://dx.doi.org/10.1107/s0108768109014013.

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This is the second of two papers, where we discuss the cluster structures of a novel family of cluster-based intermetallic phases of unprecedented complexity: cF444-Al63.6Ta36.4 (AT-19), a = 19.1663 (1) Å, V = 7040 Å3, cF(5928 − x)-Al56.6Cu3.9Ta39.5, x = 20 (ACT-45), a = 45.376 (1) Å, V = 93 428 Å3 and cF(23, 256 − x)-Al55.4Cu5.4Ta39.1, x = 122 (ACT-71), a = 71.490 (4) Å, V = 365 372 Å3. The space group is F\bar 43m in all three cases. The structures can be described as packings of clusters such as fullerenes, dodecahedra, pentagonal bifrusta and Friauf polyhedra. A characteristic feature of t

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Range, Klaus-Jürgen, and Manfred Wildenauer. "Notizen: AgNb3O8-II, eine Hochdruckphase mit neuartiger Tunnelstruktur / AgNb3O8-II, a High-Pressure Phase with a Novel Tunnel Structure Notizen." Zeitschrift für Naturforschung B 44, no. 4 (1989): 499–501. http://dx.doi.org/10.1515/znb-1989-0421.

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A quenchable high-pressure phase of AgNb3O8(AgNb3O8-II) could be synthesized at 35 kbar. 1100 °C in a modified Belt-type apparatus. The structure (Ibam, a = 7.343, b = 10.415. c = 7.007 Å , Z - 4) comprises dodecahedra NbO7 and distorted pentagonal bipyramids NbO 7 shared in such a way that elongated hexagonal tunnels along [001] are formed. Ag+-ions are situated within these tunnels. The shortest O-O distances are 2.247(11) Å (shared edges between NbO8 dodecahedra). AgNb3O8-II is metastable at atmospheric pressure and retransforms to the normal pressure phase AgNb3O8-I at 800 °C.

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Pérez, O., S. Malo, and M. Hervieu. "The modulated structure of the calcium aluminate Ca6(AlO2)12·Bi2O3." Acta Crystallographica Section B Structural Science 66, no. 6 (2010): 585–93. http://dx.doi.org/10.1107/s0108768110035792.

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Bismuth calcium aluminate, Bi2Ca6Al12O27, has been prepared as a ceramic and a single crystal. Analysis of reciprocal space using both electron and X-ray diffraction show an R-centred hexagonal unit cell: a = b = 17.3892 (4), c = 6.986 (1) Å. Additional weak reflections are observed; they require the introduction of a modulation wavevector q = 0.0453 (2)c* for indexing. The modulated structure has been solved using the superspace formalism [superspace group X\overline{3}(00\gamma)0]. A framework of corner-sharing AlO4 tetrahedra forms corrugated sixfold rings and uncommon triple rings. The Ca2

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18

Werner, J. P., and Hk Müller-Buschbaum. "Elektroneutrale Pb4O4 -Heterokubaneinheiten in den Aluminatsodalithen Ln4[Al12O24](Pb4O4)2 (Ln = Nd, Sm) / Electrically Neutral Pb4O4 Heterocubane Units in Aluminate Sodalites Ln4[Al12O24](Pb4O4)2 (Ln = Nd, Sm)." Zeitschrift für Naturforschung B 52, no. 4 (1997): 449–52. http://dx.doi.org/10.1515/znb-1997-0403.

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Abstract Single crystals of Ln4[Al12O24](Pb4O4)2 (Ln = Nd, Sm) have been prepared by flux techniques. The compounds crystallize with cubic symmetry, space group Oh-Pn3̄m, aNd = 9.514(1), aSm = 9.481(1) Å, Z = 1. The crystal structure is characterized by a [Al12O24]12- framework. Four of the eight six-membered rings of AlO4-tetrahedra per sodalite cage are centered by Ln3+ ions. The cages of the resulting electrically neutral network are filled with [Pb4O4]±0 heterocubane units. Oxygen of the heterocubane units completes the coordination spheres of the rare earth ions to hexagonal bipyramids.

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Ahamed Hussain, T. M., and B. N. Sivasankar. "Synthesis, Spectroscopic, Thermal and X-Ray Structure of Aminoguanidinium and Hydrazinium Uranyl Trichloroacetates." Asian Journal of Chemistry 31, no. 3 (2019): 591–96. http://dx.doi.org/10.14233/ajchem.2019.21648.

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New aminoguanidinium and hydrazinium uranyl complexes of trichloroacetate with formulae H2(HAgun)2[UO2(Cl3COO)5](NO3 ) (1) and (N2H5)[UO2(Cl3COO)3] (2) where HAgun is aminoguanidinium cation have been prepared in aqueous media and charaterized by analytical, spectral, thermal and X-ray crystallographic studies. The electronic spectra of the complexes confirm the presence of uranyl cation in the molecules. The infrared spectra of the complexes show the N-N stretching frequency of aminoguanidinium in the range of 1100 cm-1 and for hydrazinium in the range of 970 cm-1 conforming their ionic natur

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Rahman, A. K. Fazlur, Miles Wilklow-Marnell, William W. Brennessel та William D. Jones. "Crystal structure of chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)". Acta Crystallographica Section E Crystallographic Communications 73, № 2 (2017): 273–77. http://dx.doi.org/10.1107/s2056989017000809.

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The title complex, [IrCl(C8H12)2], was synthesized directly from the reaction of IrCl3·3H2O with a large excess of cod (cod = cycloocta-1,5-diene) in alcoholic solvent. Large yellow needles were obtained by the slow cooling of a hot solution. Based on the positions of the chloride ligand and the mid-points of the four C=C bonds, the molecule adopts a five-coordinate geometry that is midway between square pyramidal and trigonal bipyramidal. The material crystallizes in the orthorhombic space groupPbcawith one molecule per asymmetric unit in a general position and shows no significant intermolec

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Pienack, Nicole, Diana Schinkel, Angela Puls, et al. "New Thiostannates Synthesized Under Solvothermal Conditions: Crystal Structures of (trenH)2Sn3S7 and {[Mn(tren)]2Sn2S6}." Zeitschrift für Naturforschung B 67, no. 10 (2012): 1098–106. http://dx.doi.org/10.5560/znb.2012-0126.

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The two new thiostannate compounds (trenH)2Sn3S7 (1) and {[Mn(tren)]2Sn2S6} (2) (tren=tris-2-aminoethylamine) were obtained under solvothermal conditions. Compound 1 crystallizes in the hexagonal space group P63/mmc with a=13.2642(19), c=19.078(3) Å, V =2906.9(7) Å3. The layered [Sn3S7]2- anion is constructed by Sn3S4 semi-cubes sharing common edges. The layers are characterized by large hexagonal pores with dimensions of about 11×11 Å2. Compound 2 crystallizes in the triclinic space group P1̄ with lattice parameters a=7.6485(7), b=8.1062(7), c=12.1805(11) Å, α =97.367(11), β =103.995(11), γ =

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22

Bock, H., T. Hauck, C. Näther, and Z. Havlas. "Wechselwirkungen in Kristallen, 35 [ 1, 2] Einkristallzüchtung von Na⊕⊖C(NO2)3 [***] aus Etherlösungen zu einem polymeren Band [(Na⊕⊖C(NO2)3) Dioxan]∞ und einem Lösungsmittel-getrennten Ionenpaar [(Na⊕/18-Krone-6)(THF)2]⊕ [(Na⊕/18-Krone-6)(ONO-C⊖(NO2)2)2]⊖ / Interactions in Crystals, 35 [1, 2] Single Crystal Growths of Na⊕⊖C(NO2)3[***] from Ether Solutions to a Polymer Band [(Na⊕⊖C(NO2)3)Dioxane]∞ and to a Solvent-Separated Ion Pair [(Na⊕/18-Crown-6)(THF)2]⊕[(Na⊕/18-Crown-6)(ONO-C⊖(NO2)2)2]⊖." Zeitschrift für Naturforschung B 49, no. 8 (1994): 1012–20. http://dx.doi.org/10.1515/znb-1994-0802.

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The sodium salt of the most simple polynitro-substituted hydrocarbon anion. Na⊕⊖C(NO2)3, (for a hazard warning cf. [***]) crystallizes from ether solutions without and with addition of 18-crown-6 either in a polymer band. [(Na⊕⊖C(NO2)3)dioxane]∞, or as a solvent- separated ion pair, [(Na⊕/18-crown-6)(THF2]⊕[(Na⊕/18-crown-6)(O2N-C⊖(NO2)2)2]⊖. The Na⊕ cations are each 8-fold coordinated in hexagonal bipyramidal arrangement. According to extensive quantum-chemical calculations based on the structure coordinates, the formation of these novel salts can be traced back to the charge distribution in t

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Klepp, Kurt O., and Gerald Gabi. "Preparation and Crystal Structure of Cs4Nb2S11." Zeitschrift für Naturforschung B 53, no. 10 (1998): 1236–38. http://dx.doi.org/10.1515/znb-1998-1021.

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AbstractThe new polychalcogenide Cs4Nb2S11 was prepared from the melt. Cs4Nb7S11 is orthorhombic, oP68, s.g. Pca21 (No.29), Z = 4 with a = 13.775(9) Å, b = 8.043(9) A , c = 18.306(5) Å. The crystal structure was determined from diffractometer data and refined to a conventional R of 0.052 (1104 Fo’s, 154 variables). It is characterized by asymmetric discrete binuclear moieties [Nb2S11]4- which are separated by the alkali cations. Each Nb atom is side-on coordinated by two S22- groups, one bridging and one terminal sulfide ligand. Nb-S bond lengths are 2.15(1) Å to 2.22(1) Å (terminal) and 2.44(

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Wong-Ng, W., G. Liu, and J. A. Kaduk. "X-ray powder reference patterns for magnetoplumbite-like compounds, (BaxSr1−x)Ti6Co6O19 (x = 0.2, 0.4, 0.6, 0.8)." Powder Diffraction 30, no. 3 (2015): 256–62. http://dx.doi.org/10.1017/s0885715615000469.

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X-ray reference powder patterns and crystal structures have been determined for a series of titanium- and cobalt-containing layered alkaline-earth compounds with nominal formula (BaxSr1−x)Ti6Co6O19 (x = 0.2, 0.4, 0.6, 0.8). Structural isomorphism of the title compounds with the hexagonal ferrite BaFe12O19 and magnetoplumbite (PbFe12O19), was confirmed. The (BaxSr1−x)Ti6Co6O19 series crystallize in the space group of P63/mmc (No. 194) and Z = 2. The lattice parameters range from a = 5.90729(6) Å, c = 23.2378(3) Å, and V = 702.27(2) Å3 for x = 0.2 to a = 5.914 93(9), c = 23.3391(5) Å, and V = 70

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Nazarchuk, Evgeny V., Oleg I. Siidra, Dmitry O. Charkin, Stepan N. Kalmykov, and Elena L. Kotova. "Effect of solution acidity on the crystallization of polychromates in uranyl-bearing systems: synthesis and crystal structures of Rb2[(UO2)(Cr2O7)(NO3)2] and two new polymorphs of Rb2Cr3O10." Zeitschrift für Kristallographie - Crystalline Materials 236, no. 1-2 (2021): 11–21. http://dx.doi.org/10.1515/zkri-2020-0078.

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Abstract Three new rubidium polychromates, Rb2[(UO2)(Cr2O7)(NO3)2] (1), γ-Rb2Cr3O10 (2) and δ-Rb2Cr3O10 (3) were prepared by combination of hydrothermal treatment at 220 °C and evaporation of aqueous solutions under ambient conditions. Compound 1 is monoclinic, P 2 1 / c $P{2}_{1}/c$ , a = 13.6542(19), b = 19.698(3), c = 11.6984(17) Å, β = 114.326(2)°, V = 2867.0(7) Å3, R 1 = 0.040; 2 is hexagonal, P 6 3 / m $P{6}_{3}/m$ , a = 11.991(2), c = 12.828(3) Å, γ = 120°, V = 1597.3(5) Å3, R 1 = 0.031; 3 is monoclinic, P 2 1 / n $P{2}_{1}/n$ , a = 7.446(3), b = 18.194(6), c = 7.848(3) Å, β = 99.953(9)

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Jiang, Jiahui, Jinling Xu, Weiwei Wang, Li Zhang, and Guancheng Xu. "Phosphate Ion‐Functionalized CoS with Hexagonal Bipyramid Structures from a Metal–Organic Framework: Bifunctionality towards Supercapacitors and Oxygen Evolution Reaction." Chemistry – A European Journal 26, no. 65 (2020): 14903–11. http://dx.doi.org/10.1002/chem.202001547.

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27

Hernandez, Alejandro, Indranil Chakraborty, Gabriela Ortega та Christopher J. Dares. "Crystal structure of a trigonal polymorph of aquadioxidobis(pentane-2,4-dionato-κ² O,O′)uranium(VI)". Acta Crystallographica Section E Crystallographic Communications 78, № 1 (2022): 40–43. http://dx.doi.org/10.1107/s2056989021011063.

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The title compound, [UO2(acac)2(H2O)] consists of a uranyl(VI) unit ([O=U=O]2+) coordinated to two monoanionic acetylacetonate (acac, C5H7O2) ligands and one water molecule. The asymmetric unit includes a one-half of a uranium atom, one oxido ion, one-half of a water molecule and one acac ligand. The coordination about the uranium atom is distorted pentagonal–bipyramidal. The acac ligands and Ow atom comprise the equatorial plane, while the uranyl O atoms occupy the axial positions. Intermolecular hydrogen bonding between complexes results in the formation of two-dimensional hexagonal void cha

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28

Strutynska, Nataliia Yu, Ivan V. Ogorodnyk, Oksana V. Livitska, Vyacheslav N. Baumer, and Nikolay S. Slobodyanik. "The solid solution K3.84Ni0.78Fe3.19(PO4)5." Acta Crystallographica Section E Structure Reports Online 70, no. 7 (2014): i39—i40. http://dx.doi.org/10.1107/s1600536814013609.

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The title compound, tetrapotassium tetra[nickel(II)/iron(III)] pentakis(orthophosphate), K3.84Ni0.78Fe3.19(PO4)5, has been obtained from a flux. The structure is isotypic with that of K4MgFe3(PO4)5. The three-dimensional framework is built up from (Ni/Fe)O5trigonal bipyramids with a mixed Fe:Ni occupancy of 0.799 (8):0.196 (10) and isolated PO4tetrahedra, one of which is on a general position and one of which has -4.. site symmetry. Two K+cations are statistically occupied and are distributed over two positions in hexagonally shaped channels that run parallel to [001]. One K+cation [occupancy

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29

Mohapatra, Stutee, Sourav Gayen, Sampad Shyamal, Jean-François Halet, and Sundargopal Ghosh. "Synthesis, Structure and Bonding of the Tungstaboranes [Cp*W(CO)2B3H8] and [(Cp*W)3(CO)2B4H7]." Inorganics 11, no. 6 (2023): 248. http://dx.doi.org/10.3390/inorganics11060248.

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The structure and bonding of two novel tungstaboranes which were synthesized using diverse synthetic methods are described. (i) The room-temperature photolysis of [Cp*W(CO)3Me] with [BH3·SMe2] led to the isolation of the hydrogen-rich tungstaborane [Cp*W(CO)2B3H8] (1). Its geometry consists of an arachno butterfly core similar to tetraborane(10) and obeys the Wade-Mingos electron counting rules (n vertices, n + 3 skeletal electron pairs (seps)). (ii) Further, the tungstaborane [(Cp*W)3(μ-H)2(μ3-H)(μ-CO)2B4H4] (4) was isolated by thermolysis reaction of a tungsten intermediate, obtained by low

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30

Roh, Ji Hun, and Seung-Tae Hong. "Li₂GeS₃: New Structural Type of Lithium Solid Electrolyte for All-Solid-State Batteries." ECS Meeting Abstracts MA2023-02, no. 4 (2023): 780. http://dx.doi.org/10.1149/ma2023-024780mtgabs.

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Sulfide inorganic materials exhibit favorable qualities such as high ionic conductivity and mechanical softness, making them promising candidates for solid electrolytes in Li-ion all-solid-state batteries. Sulfide solid electrolytes exist in various structural types, including β-Li3PS4, Li10GeP2S12, argyrodite, Li4PS4I, Li7P3S11, and Li1.82SiP0.036S3. While these materials exhibit high ionic conductivities of up to ~10− 2 S cm− 1 at room temperature and possess mechanical softness, they also have limitations, such as a narrow electrochemical stability window and air instability, which can hind

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31

Raspertova, I. V., D. M. Khomenko, Z. D. Uzakbergenova, R. O. Doroshchuk, and R. D. Lampeka. "The structure and spectroscopic characterization of coordination compounds with -phenyl-N-methylnitrone in solution and in solid state." Voprosy Khimii i Khimicheskoi Tekhnologii, no. 1 (January 2022): 88–94. http://dx.doi.org/10.32434/0321-4095-2022-140-1-88-94.

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New coordination compounds of a-phenyl-N-methylnitrone with Cu2+, Mn2+, Ni2+, and UO22+ were synthesized. Complexes were studied by means of IR, NMR and UV-Vis spectroscopies. The crystal and molecular structure of uranyl complex with a-phenyl-N-methylnitrone was determined by X-ray diffraction study. The monodentate nitrone ligands are coordinated to the metal ion via oxygen atom. The coordination polyhedron of uranium is a distorted hexagonal bipyramide. It was shown that there is dynamic process in the acetone solution in the temperature range of 203–297 K. The ligand exists as a trans-isom

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32

Ding, You-Song, William J. A. Blackmore, Yuan-Qi Zhai, et al. "Studies of the Temperature Dependence of the Structure and Magnetism of a Hexagonal-Bipyramidal Dysprosium(III) Single-Molecule Magnet." Inorganic Chemistry 61, no. 1 (2021): 227–35. http://dx.doi.org/10.1021/acs.inorgchem.1c02779.

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33

Locock, A. J., and P. C. Burns. "The structure of hügelite, an arsenate of the phosphuranylite group, and its relationship to dumontite." Mineralogical Magazine 67, no. 5 (2003): 1109–20. http://dx.doi.org/10.1180/0026461036750146.

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AbstractThe crystal structure of hügelite, Pb2[(UO2)3O2(AsO4)2](H2O)5, monoclinic, space groupP21/m,a= 31.066(3)Å,b= 17.303(2)Å,c= 7.043(1)Å, β = 96.492(2)°,V= 3761.6(1)Å3,Z= 8,Dcalc= 5.74 g/cm3, was solved by direct methods using data from a crystal twinned by pseudo-merohedry, and was refined by full-matrix least-squares techniques on the basis ofF2to agreement indicesR1 of 3.3% calculated for 5519 unique observed reflections (|Fo| 5 ≥ 4σF), andwR2of 6.7% for all data. Intensity data were collected at room temperature using Mo-Kα radiation and a CCD-based area detector. Hügelite is a member

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34

Marx, Rupert. "Reindarstellung und Kristallstruktur von Lithiumtrinitridbromid, Li10N3Br / Preparation and Crystal Structure of Lithium Trinitride Bromide Li10N3Br." Zeitschrift für Naturforschung B 50, no. 7 (1995): 1061–66. http://dx.doi.org/10.1515/znb-1995-0713.

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Li10N3Br has been prepared by the reaction of Li3N and dry, OH-free LiBr. It is found to be the most nitride rich compound in the quasi-binary system Li3-2xN1-xBrx. The previously unknown structure of the title compound has been solved from neutron powder diffraction data recorded using the flat-cone and powder diffractometer E2 at the Berlin BER II reactor. Li10N3Br crystallizes in the hexagonal space group P6̄m2 (No. 187), a = 741.3(1) pm, c = 386.57(3) pm, with one formula unit per unit cell. The structure is closely related to Li3N (space group P6/m m m , a = 364.8(1) pm, c = 387.5(1) pm).

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35

Krzątała, Arkadiusz, Taras Panikorovskii, Irina Galuskina, and Evgeny Galuskin. "Dynamic Disorder of Fe3+ Ions in the Crystal Structure of Natural Barioferrite." Minerals 8, no. 8 (2018): 340. http://dx.doi.org/10.3390/min8080340.

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A natural barioferrite, BaFe3+12O19, from a larnite–schorlomite–gehlenite vein of paralava within gehlenite hornfels of the Hatrurim Complex at Har Parsa, Negev Desert, Israel, was investigated by Raman spectroscopy, electron probe microanalysis, and single-crystal X-ray analyses acquired over the temperature range of 100–400 K. The crystals are up to 0.3 mm × 0.1 mm in size and form intergrowths with hematite, magnesioferrite, khesinite, and harmunite. The empirical formula of the barioferrite investigated is as follows: (Ba0.85Ca0.12Sr0.03)∑1(Fe3+10.72Al0.46Ti4+0.41Mg0.15Cu2+0.09Ca0.08Zn0.04

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36

Dormidontov, Andrey G., Natalia B. Kolchugina, Nikolay A. Dormidontov, et al. "Structure of Alloys for (Sm,Zr)(Co,Cu,Fe)z Permanent Magnets: III. Matrix and Phases of the High-Coercivity State." Materials 14, no. 24 (2021): 7762. http://dx.doi.org/10.3390/ma14247762.

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Observations of the surface domain structure (Kerr-effect), optical metallography, scanning electron microscopy (SEM-SE), and electron microprobe analysis (EPMA-SEM), measurements of major and minor magnetic hysteretic loops were used to study pseudo-single-crystal samples of (Sm,Zr)(Co,Cu,Fe)z alloys subjected to heat treatments to the high-coercivity state, which are used in fabricating sintered permanent magnets. Correlations between the chemical composition, hysteretic properties, structural components, domain structure, and phase state were determined for the concentration ranges that ens

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37

Ben Haj Hassen, Leila, Zouhour Denden, Yoann Rousselin та Habib Nasri. "Crystal structure of diaqua[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-κ4N]iron(III) diaqua(18-crown-6)potassium bis(trifluoromethanesulfonate)–18-crown-6 (1/2)". Acta Crystallographica Section E Crystallographic Communications 71, № 12 (2015): m215—m216. http://dx.doi.org/10.1107/s2056989015021039.

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In the title compound, [FeIII(C48H36N4O2)(H2O)2][K(C12H24O6)(H2O)2](SO3CF3)2·2C12H24O6, the FeIIIatom is situated on an inversion centre and is octahedrally coordinated by four pyrrole N atoms of the deprotenated 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinate ligand and two water molecules. The average equatorial Fe—N(pyrrole) bond length [2.043 (6) Å] is consistent with a high-spin (S= 5/2) iron(III) metalloporphyrin derivative. The K+cation, which also lies on an inversion centre, is chelated by the six O atoms of one 18-crown-6 molecule and is additionally coordinated by two water molecul

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38

Hoskin, P. W. O., and P. C. Burns. "Ion exchange between aqueous fluid and spent nuclear fuel alteration products: Implications for the mobility of Cs in the probable repository at Yucca Mountain." Mineralogical Magazine 67, no. 4 (2003): 689–96. http://dx.doi.org/10.1180/0026461036740127.

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AbstractCompreignacite, a naturally occurring potassium uranyl oxide hydrate, is an expected alteration product of spent nuclear fuel subjected to oxidative corrosion in the presence of water. Ion-exchange experiments were performed using natural crystals of compreignacite in a 2 M CsCl solution at 180°C for 24 h, and in a 100 ppm CsCl solution at 90°C for 14 days. Exchange of Cs into crystals of compreignacite was demonstrated by crystal-structure analysis for a crystal from 2 M solution and chemical analysis for crystals from both exchange experiments. The structure of Cs-exchanged compreign

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39

Rettig, Steven J., Alan Storr, and James Trotter. "The methylgallium-2-carboxylatobenzimidazolato hexamer, [MeGa·C8H4N2O2]6·C6H6·(Me2C6H4)2; synthesis and X-ray crystal structure." Canadian Journal of Chemistry 77, no. 4 (1999): 434–38. http://dx.doi.org/10.1139/v99-064.

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The room-temperature reaction of Me3Ga with benzimidazole 2-carboxylic acid in xylene solvent has yielded a novel crystalline hexameric gallium compound with "MeGa" moieties bridged by the doubly depronotated ligand precursor. Crystals of [MeGa(4,5-benzimidazolato-2-carboxylato)]6·(C6H6)·(m-Me2C6H4)2 are monoclinic, a = 18.091(2), b = 17.094(2), c = 13.2215(5) Å, Z = 2, space group C2/m. The structure was solved by direct methods and refined by full-matrix least-squares procedures to R (F, I [Formula: see text] 3σ(I)) = 0.064 (Rw (F2, all data) = 0.134). The hexameric Ga complex contains a six

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40

Niewa, Barbara Schüpp, Larisa Shlyk, Sergej Kryukov, Lance E. De Long, and Rainer Niewa. "Bafe3.39(5)Ru2.61(5)O11 And BaCo1.85(6)Ru4.15(6)O11. Preparation, Crystal Structures, And Magnetic And Transport Properties Of Quaternary Transition Metal Oxoruthenates." Zeitschrift für Naturforschung B 62, no. 6 (2007): 753–58. http://dx.doi.org/10.1515/znb-2007-0601.

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Black plate-like single crystals of BaFe3.39(5)Ru2.61(5)O11 and BaCo1.85(6)Ru4.15(6)O11 were grown from a BaCl2 flux [hexagonal, space group P63/mmc (No. 194), Fe: a = 5.856(1), c = 13.587(1) Å , R1 = 0.029, wR2 = 0.084; Co: a = 5.842(1), c = 13.573(3) Å, R1 = 0.033, wR2 = 0.075]. The crystal structures contain two crystallographic sites with mixed Ru and Fe/Co occupation of different level in octahedral coordination and one site purely occupied by the respective 3d metal. The latter position is in trigonal bipyramidal coordination, with some indication for a displacement of the metal atom tow

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41

Kawasaki, Takeshi, та Takafumi Kitazawa. "Crystal structure of μ-peroxido-κ4O1,O2:O1′,O2′-bis[(nitrato-κO)(2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)dioxidouranium(VI)]". Acta Crystallographica Section E Crystallographic Communications 71, № 5 (2015): m122—m123. http://dx.doi.org/10.1107/s2056989015007987.

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In the title dimeric complex, [{UO2(NO3)(C15H11N3)}2O2], a peroxide ion bridges the two uranyl(VI) [O=U=O]2+ions. The O—O bond length of the peroxide is 1.485 (6) Å and the mid-point of this bond is located at the inversion centre of the dimer. The U atom exhibits a distorted hexagonal–bipyramidal coordination geometry with two uranyl(VI) O atoms occupying the axial positions and one O atom of the monodentate nitrate ion, both O atoms of the peroxide ion and the three N atoms of the chelating tridentate 2,2′:6′,2′′-terpyridine (terpy) ligand in the equatorial positions. Two of the N atoms of t

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42

Diaz-Ortega, Ismael Francisco, Yating Ye, Jesus Jover, Eliseo Ruiz, Enrique Colacio, and Juan Manuel Herrera. "Engineering Mononuclear Ln(III) Complexes with a Pseudo-Macrocyclic Hexadentate N4O2 Schiff Base Ligand Exhibiting Slow Magnetic Relaxation." Magnetochemistry 10, no. 12 (2024): 104. https://doi.org/10.3390/magnetochemistry10120104.

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We report here the synthesis of a series of nine coordinated mononuclear LnIII complexes [LnL1Cl2(DMF)]Cl·2.5DMF and [LnL1(L2)2]Cl·4CH3OH (LnIII = GdIII, DyIII, ErIII and YbIII, HL2 = 9-anthracenecarboxylic acid), where L1 is a hexadentate N4O2 Schiff base ligand prepared from the condensation of 1,10-phenanthroline-2,9-dicarbaldehyde and semicarbazone. The X-ray crystal structures of these complexes show the LnIII ions to possess LnN4O2Cl2 and LnN4O4 coordination spheres, which can be considered to be derived from a hexagonal bipyramidal geometry, with the ligand in the equatorial plane and t

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43

Plaksin, D., S. Chacko, P. McPhie, A. Bax, E. A. Padlan, and D. H. Margulies. "A T cell receptor V alpha domain expressed in bacteria: does it dimerize in solution?" Journal of Experimental Medicine 184, no. 4 (1996): 1251–58. http://dx.doi.org/10.1084/jem.184.4.1251.

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To evaluate the potential for dimerization through a particular T cell receptor (TCR) domain, we have cloned the cDNA encoding a TCR V alpha from a hybridoma with specificity for the human immunodeficiency virus (HIV) envelope glycoprotein 120-derived peptide P18-110 (RGPGRAFVTI) bound to the murine major histocompatibility complex (MHC) class I molecule, H-2Dd. This cDNA was then expressed in a bacterial vector, and protein, as inclusion bodies, was solubilized, refolded, and purified to homogeneity. Yield of the refolded material was from 10 to 50 mg per liter of bacterial culture, the prote

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44

Tsantis, Sokratis T., Zoi G. Lada, Sotiris G. Skiadas, et al. "Understanding the Selective Extraction of the Uranyl Ion from Seawater with Amidoxime-Functionalized Materials: Uranyl Complexes of Pyrimidine-2-amidoxime." Inorganics 12, no. 3 (2024): 82. http://dx.doi.org/10.3390/inorganics12030082.

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The study of small synthetic models for the highly selective removal of uranyl ions from seawater with amidoxime-containing materials is a valuable means to enhance their recovery capacity, leading to better extractants. An important issue in such efforts is to design bifunctional ligands and study their reactions with trans-{UO2}2+ in order to model the reactivity of polymeric sorbents possessing both amidoximate and another adjacent donor site on the side chains of the polymers. In this work, we present our results concerning the reactions of uranyl and pyrimidine-2-amidoxime, a ligand posse

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45

Mills, S. J., A. R. Kampf, J. Sejkora, P. M. Adams, W. D. Birch, and J. Plášil. "Iangreyite: a new secondary phosphate mineral closely related to perhamite." Mineralogical Magazine 75, no. 2 (2011): 327–36. http://dx.doi.org/10.1180/minmag.2011.075.2.327.

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AbstractIangreyite, ideally Ca2Al7(PO4)2(PO3OH)2(OH,F)15·8H2O, is a new mineral (IMA2009-087) from the Silver Coin mine, Nevada, USA and the Krásno ore district, Horní Slavkov, Czech Republic. At Silver Coin, iangreyite occurs as thin, colourless to white or cream, hexagonal tablets up to 0.4 mm in diameter and 0.02 mm thick associated with meurigite-Na, plumbogummite, kidwellite, lipscombite. strengite, chalcosiderite, wardite, leucophosphite, wavellite, goethite, barite, quartz and F-rich perhamite. At Krásno, white, yellowish or light pink iangreyite coatings consist of 0.3 mm wide clusters

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46

Dvorak, AM, L. Letourneau, GR Login, PF Weller, and SJ Ackerman. "Ultrastructural localization of the Charcot-Leyden crystal protein (lysophospholipase) to a distinct crystalloid-free granule population in mature human eosinophils." Blood 72, no. 1 (1988): 150–58. http://dx.doi.org/10.1182/blood.v72.1.150.150.

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Abstract The Charcot-Leyden crystal (CLC) protein is a unique constituent of eosinophils and basophils. This protein forms the hexagonal bipyramidal crystals observed in tissues at sites of eosinophil accumulations, possesses lysophospholipase activity (lysolecithin acylhydrolase E.C.3.1.1.5), and comprises an estimated 7% to 10% of total eosinophil protein. The ultrastructural localization of CLC protein was studied in mature peripheral blood eosinophils from normal donors and from patients with the idiopathic hypereosinophilic syndrome. Subcellular localization was evaluated by immunoelectro

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47

Dvorak, AM, L. Letourneau, GR Login, PF Weller, and SJ Ackerman. "Ultrastructural localization of the Charcot-Leyden crystal protein (lysophospholipase) to a distinct crystalloid-free granule population in mature human eosinophils." Blood 72, no. 1 (1988): 150–58. http://dx.doi.org/10.1182/blood.v72.1.150.bloodjournal721150.

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The Charcot-Leyden crystal (CLC) protein is a unique constituent of eosinophils and basophils. This protein forms the hexagonal bipyramidal crystals observed in tissues at sites of eosinophil accumulations, possesses lysophospholipase activity (lysolecithin acylhydrolase E.C.3.1.1.5), and comprises an estimated 7% to 10% of total eosinophil protein. The ultrastructural localization of CLC protein was studied in mature peripheral blood eosinophils from normal donors and from patients with the idiopathic hypereosinophilic syndrome. Subcellular localization was evaluated by immunoelectron microsc

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48

Ackerman, S. J., S. E. Corrette, H. F. Rosenberg, et al. "Molecular cloning and characterization of human eosinophil Charcot-Leyden crystal protein (lysophospholipase). Similarities to IgE binding proteins and the S-type animal lectin superfamily." Journal of Immunology 150, no. 2 (1993): 456–68. http://dx.doi.org/10.4049/jimmunol.150.2.456.

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Abstract We have isolated and sequenced a 598-bp full length cDNA clone for the human Charcot-Leyden crystal (CLC) protein (eosinophil lysophospholipase), the unique and prominent constituent of human eosinophils and basophils that forms the hexagonal bipyramidal crystals classically observed in tissues and secretions from sites of eosinophil-associated inflammation. A 426-bp open reading frame encoded a 142-amino acid polypeptide with a predicted molecular mass of 16.5 kDa and isoelectric point of 7.28. The deduced amino acid sequence of CLC protein showed 20 to 30% similarity over regions of

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49

Zhang, Chi, Huashan Liu, and Hailong Peng. "Structural origin for the composition-dependent nearest atomic distance in Cu-Zr metallic glasses." Chinese Physics B, April 20, 2023. http://dx.doi.org/10.1088/1674-1056/acce99.

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Abstract We systematically investigated the structure of Cu-Zr metallic glasses (MGs) by varying the Cu concentration on classic molecular-dynamics simulations. A significant increase of Zr-Zr nearest atomic distance was found upon Cu addition from the pair distribution functions (PDFs), correlating with a composition-dependent coordinating behavior between Cu and Zr atoms in the nearest neighbors. Portion of PDFs relevant to the nearest connection is decomposed into the contributions from quadrilateral, pentagonal, hexagonal, and heptagonal bipyramid structures. Although the population of rel

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50

Davidovich, Ruven L., and Evgeny A. Goreshnik. "Structural chemistry of mixed-ligand fluoride complexes of uranyl." Structural Chemistry, July 15, 2024. http://dx.doi.org/10.1007/s11224-024-02322-4.

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AbstractThe crystal structures of mixed-ligand sulfato-, selenato-, phosphato-, arsenato-, and chromato-fluoride complexes of uranyl and of mixed-ligand carboxylato-fluoride and mixed-ligand fluoride complexes with neutral donor ligands studied by the single-crystal X-ray diffraction method were systematized and discussed. The crystal chemical features of the structures of the mixed-ligand fluoride complexes of uranyl were determined: the coordination polyhedron of the hexavalent uranium atom in the structures of the mixed-ligand fluoride complexes of uranyl (except for three hexagonal-bipyram

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