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Journal articles on the topic 'Octahedral tilting'

Author: Grafiati

Published: 4 June 2021

Last updated: 16 February 2022

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1

Grey, Ian E. "Kagomé networks of octahedrally coordinated metal atoms in minerals: Relating different mineral structures through octahedral tilting." Mineralogical Magazine 84, no. 5 (2020): 640–52. http://dx.doi.org/10.1180/mgm.2020.72.

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AbstractKagomé nets of corner-connected triangles of atoms occur in diverse minerals, from the {111} anion arrays in perovskite-group minerals to natural metallic alloys like auricupride, AuCu3, to the cation layers in atacamite-group minerals. We review here two- and three-dimensional kagomé networks in minerals where the kagomé node atoms are octahedrally coordinated in hexagonal tungsten bronze (HTB) arrays. Octahedral tilting, coupled with capping of the apical anions of the triangular groupings of octahedra in the HTB layers, gives rise to several important mineral groups, including pyroc

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2

Woodward, P. M. "Octahedral Tilting in Perovskites. I. Geometrical Considerations." Acta Crystallographica Section B Structural Science 53, no. 1 (1997): 32–43. http://dx.doi.org/10.1107/s0108768196010713.

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The 23 Glazer tilt systems describing octahedral tilting in perovskites have been investigated. It is shown that in tilt systems a + a + a −, a + b + b −, a + a + c −, a + b + c −, a 0 b + b − and a 0 b + c − it is not possible to link together a three-dimensional network of perfectly rigid octahedra. In these tilt systems small distortions of the octahedra must occur. The magnitude of the distortions in the a + a + a − and a 0 b + b − tilt systems are estimated. A table of predicted space groups for ordered perovskites, A 2 MM′O6, for all 23 tilt systems is also given.

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3

Howard, Christopher J., Brendan J. Kennedy, and Patrick M. Woodward. "Ordered double perovskites – a group-theoretical analysis." Acta Crystallographica Section B Structural Science 59, no. 4 (2003): 463–71. http://dx.doi.org/10.1107/s0108768103010073.

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Group-theoretical methods are used to enumerate the structures of ordered double perovskites, A 2 BB′X 6, in which the ordering of cations B and B′ into alternate octahedra is considered in combination with the ubiquitous BX 6 (or B′X 6) octahedral tilting. The cation ordering on the B-cation site is described by the irreducible representation R_1^+ of the Pm \overline 3 m space group of the cubic aristotype, while the octahedral tilting is mediated by irreducible representations M_3^+ and R_4^+. There are 12 different structures identified, and the corresponding group–subgroup relationships a

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4

Whittle, Thomas A., Siegbert Schmid, and Christopher J. Howard. "Octahedral tilting in the tungsten bronzes." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71, no. 3 (2015): 342–48. http://dx.doi.org/10.1107/s2052520615008252.

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Possibilities for `simple' octahedral tilting in the hexagonal and tetragonal tungsten bronzes (HTB and TTB) have been examined, making use of group theory as implemented in the computer programISOTROPY. For HTB, there is one obvious tilting pattern, leading to a structure in space groupP63/mmc. This differs from the space groupP63/mcmfrequently quoted from X-ray studies – these studies have in effect detected only displacements of the W cations from the centres of the WO6octahedra. The correct space group, taking account of both W ion displacement and the octahedral tilting, isP6322 – structu

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5

Lufaso, Michael W., Paris W. Barnes, and Patrick M. Woodward. "Structure prediction of ordered and disordered multiple octahedral cation perovskites using SPuDS." Acta Crystallographica Section B Structural Science 62, no. 3 (2006): 397–410. http://dx.doi.org/10.1107/s010876810600262x.

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The software package SPuDS has previously been shown to accurately predict crystal structures of AMX 3 and A 1 − x A′ x MX 3 perovskites that have undergone octahedral tilting distortions. This paper describes the extension of this technique and its accuracy for A 2 MM′X 6 ordered double perovskites with the aristotype Fm\overline 3m cubic structure, as well as those that have undergone octahedral tilting distortions. A survey of the literature shows that roughly 70% of all ordered double perovskites undergo octahedral tilting distortions. Of the 11 distinct types of octahedral tilting that ca

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Boffa Ballaran, Tiziana, Kanchana Kularatne, and Reidar Trønnes. "High-pressure structural behaviour of CaIrO3polymorphs." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C267. http://dx.doi.org/10.1107/s2053273314097320.

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The two known polymorphs of CaIrO3 crystallize int the orthorhombic space groups Pbnm and Cmcm. These compounds have been the focus of much research in the Earth sciences community because they are isostructural with MgSiO3 perovskite and post-perovskite structures which are likely the most abundant minerals in the Earth's lower mantle. CaIrO3 post-perovskite is stable at ambient conditions and transforms at 1-3 GPa and at temperatures above 13500C to the CaIrO3 perovskite structure providing an ideal low pressure and low temperature analogue for the MgSiO3 perovskite to post-perovskite phase

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7

Woodward, P. M., and A. W. Sleight. "Octahedral tilting distortions in the perovskite structure." Acta Crystallographica Section A Foundations of Crystallography 52, a1 (1996): C322. http://dx.doi.org/10.1107/s010876739608662x.

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8

Whittle, Thomas A., Siegbert Schmid, and Christopher J. Howard. "Octahedral tilting in the tungsten bronzes. Addendum." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 74, no. 6 (2018): 742–44. http://dx.doi.org/10.1107/s2052520618015263.

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The studies of octahedral tilting in the tungsten bronzes [Whittle et al. (2015). Acta Cryst. B71, 342–348] were continued in the context of a more general approach to cooperative rotations of interconnected rigid units [Campbell et al. (2018). Acta Cryst. A74, 408–424]. That more general approach has detailed possible structures not identified in our 2015 paper. A brief comment on the implications of finite tilts for octahedral distortion is included.

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9

Lufaso, Michael W., René B. Macquart, Yongjae Lee, Thomas Vogt, and Hans-Conrad zur Loye. "Pressure induced octahedral tilting distortion in Ba2YTaO6." Chem. Commun., no. 2 (2006): 168–70. http://dx.doi.org/10.1039/b512861g.

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10

Howard, C. J., and H. T. Stokes. "Group-Theoretical Analysis of Octahedral Tilting in Perovskites." Acta Crystallographica Section B Structural Science 54, no. 6 (1998): 782–89. http://dx.doi.org/10.1107/s0108768198004200.

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A group-theoretical analysis is made of the structures derived from the aristotype cubic perovskite (Pm3¯m) by the simple tilting of rigid octahedral units. The tilting is mediated by the irreducible representations R^+_4 and M^+_3 or the two in combination. These result in 15 possible structures, compared with the 23 possibilities suggested previously by Glazer [Acta Cryst. (1972), B28, 3384–3392]. The analysis makes the group–subgroup relationships apparent.

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11

King, Graham. "New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K3GaF6." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 76, no. 5 (2020): 789–94. http://dx.doi.org/10.1107/s2052520620009695.

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The crystal structures of three polymorphs of K3GaF6 and the transition temperatures between these phases are reported for the first time. Synchrotron powder diffraction data clearly show that at 300 K α-K3GaF6 crystallizes in space group I41/a with lattice parameters of a = 19.1124 (3) Å, c = 34.4165 (6) Å, and Z = 80. The structure is based on the double perovskite but with two fifths of the GaF6 octahedra rotated by ∼45°. This phase remains stable until ∼460 K, above which it undergoes a transition to I4/m with lattice parameters of a = 13.6088 (4) Å, c = 8.6764 (3) Å, and Z = 10 at 485 K.

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12

Woodward, P. M. "Octahedral Tilting in Perovskites. II. Structure Stabilizing Forces." Acta Crystallographica Section B Structural Science 53, no. 1 (1997): 44–66. http://dx.doi.org/10.1107/s0108768196012050.

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The 23 Glazer tilt systems describing octahedral tilting in perovskites have been investigated. The various tilt systems have been compared in terms of their A-cation coordination and it is shown that those tilt systems in which all the A-cation sites remain crystallographically equivalent are strongly favored, when all the A sites are occupied by the same ion. Calculations based on both ionic and covalent models have been performed to compare the seven equivalent A-site tilt systems. Both methods predict that when the tilt angles become large, the orthorhombic a + b − b − tilt system will res

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13

Hatch, Dorian M., and Harold T. Stokes. "Classification of octahedral tilting phases in the perovskitelikeA2BX4structure." Physical Review B 35, no. 16 (1987): 8509–16. http://dx.doi.org/10.1103/physrevb.35.8509.

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14

Thomas, N. W. "The compositional dependence of octahedral tilting in orthorhombic and tetragonal perovskites." Acta Crystallographica Section B Structural Science 52, no. 1 (1996): 16–31. http://dx.doi.org/10.1107/s0108768195006100.

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A new parameterization is defined for the quantitative description of octahedral tilting in orthorhombic and tetragonal perovskites. It contains six parameters, s 1, s 2, s 3, θx , θy and θz . s 1, s 2 and s 3 refer to the lengths of the lines or `stalks' joining pairs of opposite octahedral vertices, and θx , θy and θz to the angles subtended by these stalks with pseudo-cubic axes x, y and z. An equation is derived for the dependence of polyhedral volume ratio, Va / VB , on these parameters: Va / VB = 6cos2 θm cos θz − 1, where θm = (θx + θy )/2. To a good approximation, lengths s 1, s 2 and

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15

Lufaso, Michael W., and Patrick M. Woodward. "Jahn–Teller distortions, cation ordering and octahedral tilting in perovskites." Acta Crystallographica Section B Structural Science 60, no. 1 (2004): 10–20. http://dx.doi.org/10.1107/s0108768103026661.

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In transition metal oxides, preferential occupation of specific d orbitals on the transition metal ion can lead to the development of a long-range ordered pattern of occupied orbitals. This phenomenon, referred to as orbital ordering, is usually observed indirectly from the cooperative Jahn–Teller distortions (CJTDs) that result as a consequence of the orbital ordering. This paper examines the interplay between orbital ordering, octahedral tilting and cation ordering in perovskites. Both ternary AMX 3 perovskites containing an active Jahn–Teller (J–T) ion on the octahedral site and quaternary

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16

Barnes, Paris W., Michael W. Lufaso, and Patrick M. Woodward. "Structure determination of A 2 M 3+TaO6 and A 2 M 3+NbO6 ordered perovskites: octahedral tilting and pseudosymmetry." Acta Crystallographica Section B Structural Science 62, no. 3 (2006): 384–96. http://dx.doi.org/10.1107/s0108768106002448.

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The room-temperature crystal structures of six A 2 M 3+ M 5+O6 ordered perovskites have been determined from neutron and X-ray powder diffraction data. Ba2YNbO6 adopts the aristotype high-symmetry cubic structure (space group Fm\overline 3m, Z = 4). The symmetries of the remaining five compounds were lowered by octahedral tilting distortions. Out-of-phase rotations of the octahedra about the c axis were observed in Sr2CrTaO6 and Sr2GaTaO6, which lowers the symmetry to tetragonal (space group = I4/m, Z = 2, Glazer tilt system = a 0 a 0 c −). Octahedral tilting analogous to that seen in GdFeO3 o

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17

Suárez, Donají Y., Ian M. Reaney, and William E. Lee. "Relation between tolerance factor and Tc in Aurivillius compounds." Journal of Materials Research 16, no. 11 (2001): 3139–49. http://dx.doi.org/10.1557/jmr.2001.0433.

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The structures and microstructures of a range of Aurivillius phases were investigated by transmission electron microscopy. Systematic rows of superlattice reflections arising from tilting of octahedra around the c axis were identified, and their intensities at room temperature were shown to diminish as the tolerance factor (t) of the perovskite blocks increased. For compounds with t's approaching 1, no superlattice reflections were observed. the paraelectric-to-ferroelectric phase transition temperature (Tc) was monitored through permittivity measurements as a function of temperature, and Tc w

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18

Carpenter, Michael A., and Christopher J. Howard. "Symmetry rules and strain/order-parameter relationships for coupling between octahedral tilting and cooperative Jahn–Teller transitions in ABX 3 perovskites. II. Application." Acta Crystallographica Section B Structural Science 65, no. 2 (2009): 147–59. http://dx.doi.org/10.1107/s0108768109000962.

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The structural evolution of selected perovskites containing Jahn–Teller cations has been investigated in the light of a formal analysis of symmetry hierarchies for phase transitions driven by octahedral tilting and Jahn–Teller cooperative distortions. General expressions derived from the strain/order-parameter coupling relationships allowed by symmetry are combined with observed changes in lattice parameters to reveal details of order-parameter evolution and coupling. LuVO3, YbVO3, YVO3 and CeVO3 are representative of systems which develop Jahn–Teller ordering schemes associated with irreducib

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19

Confalonieri, Giorgia, Vincenzo Buscaglia, GianCarlo Capitani, et al. "Local distortion and octahedral tilting in BaCe x Ti1−x O3 perovskite." Journal of Applied Crystallography 51, no. 5 (2018): 1283–94. http://dx.doi.org/10.1107/s1600576718010786.

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Ceramics with perovskite structure and composition BaCe x Ti1−x O3 (x = 0.02–0.30) show a progressive evolution with increasing x, from the long-range polar order of ferroelectric BaTiO3 to the short-range polar order typical of relaxors. The ionic size mismatch between Ti4+ and Ce4+ determines strong local strains which have a significant impact on dielectric properties and phase transitions. The pair distribution function, coupled with transmission electron microscopy analysis, was applied to study the local structure. Because of the inner B-cation sizes, the superposition of rigid B—O octah

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20

Tamazyan, Rafael, and Sander van Smaalen. "Quantitative description of the tilt of distorted octahedra in ABX 3 structures." Acta Crystallographica Section B Structural Science 63, no. 2 (2007): 190–200. http://dx.doi.org/10.1107/s010876810605244x.

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A description of the tilt of octahedra in ABX 3 perovskite-related structures is proposed that can be used to extract the unique values for the tilt parameters φ, θ and δ of ABX 3 structures with regular and distorted octahedra up to the point symmetry \bar 1, from atomic coordinates and lattice parameters. The geometry of the BX 6 octahedron is described by three B—X bond lengths (r 1, r 2, r 3) and three X—B—X bond angles (ψ12, ψ13 and ψ23) or alternatively by a local strain tensor together with an average B—X bond length. Connections between the proposed method and Glazer's tilt system are

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21

Yao, L., S. Inkinen, O. Pacherova, M. Jelinek, S. van Dijken, and M. Tyunina. "Chemical-bond effect on epitaxial strain in perovskite sodium niobate." Physical Chemistry Chemical Physics 20, no. 6 (2018): 4263–68. http://dx.doi.org/10.1039/c7cp08449h.

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22

Ranjbar, Ben, Adriano Pavan, Brendan J. Kennedy, and Zhaoming Zhang. "Structural and magnetic properties of the ruthenium double perovskites Ba2−xSrxYRuO6." Dalton Transactions 44, no. 23 (2015): 10689–99. http://dx.doi.org/10.1039/c4dt03682d.

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23

Carpenter, Michael A., and Christopher J. Howard. "Symmetry rules and strain/order-parameter relationships for coupling between octahedral tilting and cooperative Jahn–Teller transitions in ABX 3 perovskites. I. Theory." Acta Crystallographica Section B Structural Science 65, no. 2 (2009): 134–46. http://dx.doi.org/10.1107/s0108768109000974.

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Space groups, order-parameter and strain/order-parameter coupling relationships in ABX 3 perovskite structures which combine cooperative Jahn–Teller distortions and octahedral tilting have been investigated from the perspective of group theory using the computer program ISOTROPY. Two common Jahn–Teller ordering schemes are associated with the irreducible representations {M}_2^+ and {R}_3^ + of the space group Pm\overline 3m. A third, less-common ordering scheme is associated with \Gamma _3^ +. These combine with tilting instabilities associated with {M}_3^ + and {R}_4^ + to generate a predicte

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24

McNulty, Jason A., Alexandra S. Gibbs, Philip Lightfoot, and Finlay D. Morrison. "Octahedral tilting in the polar hexagonal tungsten bronzes RbNbW2O9 and KNbW2O9." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 75, no. 5 (2019): 815–21. http://dx.doi.org/10.1107/s2052520619009260.

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The ambient-temperature structures (orthorhombic, space group Cmc21) of the polar hexagonal tungsten bronzes RbNbW2O9 and KNbW2O9 have been determined by high-resolution powder neutron diffraction. Displacement of the A-site cation along the polar c axis with concomitant octahedral tilting occurs to optimize the A cation bonding environment, hence reducing the coordination from 18 to 16. This effect is more evident in KNbW2O9 due to decreased A cation size. The octahedral tilting in both compositions results in a doubling of the c axis that has not previously been reported, highlighting the im

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25

Whittle, Thomas A., William R. Brant, Ray L. Withers, Yun Liu, Christopher J. Howard, and Siegbert Schmid. "Novel insight into the structure and properties of lead-free dielectric Sr3TiNb4O15." Journal of Materials Chemistry C 6, no. 33 (2018): 8890–96. http://dx.doi.org/10.1039/c8tc00732b.

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26

Jørgensen, Jens-Erik, Yaroslav Filinchuk, and Vladimir Dmitriev. "Tilting of semi-rigid GaF6 octahedra in GaF3 at high pressures." Powder Diffraction 32, S1 (2017): S69—S73. http://dx.doi.org/10.1017/s0885715616000701.

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The VF3-type compound GaF3 has been studied by high-pressure angle-dispersive X-ray diffraction in the pressure range from 0.0001 to 10 GPa. The compression mechanism was found to be highly anisotropic. The c-axis shows little pressure dependence (≈0.4%), but exhibits negative linear compressibility up to ≈3 GPa where it achieves its maximum length. In contrast, the length of the a-axis is reduced by ≈8.8% at the highest measured pressure and an anomalous reduction in the linear compressibility is observed at 4 GPa. The zero pressure bulk modulus B0 was determined to B0 = 28(1) GPa. The compre

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27

Vougo-Zanda, Marie, Ekaterina V. Anokhina, Selma Duhovic, et al. "Octahedral Tilting in MM′X4Metal-Oxide Organic Layer Structures." Inorganic Chemistry 47, no. 11 (2008): 4746–51. http://dx.doi.org/10.1021/ic8000448.

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28

Hatch, Dorian M., and Harold T. Stokes. "Erratum: Classification of octahedral tilting phases in the perovskitelikeA2BX4structure." Physical Review B 36, no. 13 (1987): 7185. http://dx.doi.org/10.1103/physrevb.36.7185.2.

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29

Abakumov, Artem M. "Frustrated octahedral tilting distortion in the incommensurately modulated perovskites." Acta Crystallographica Section A Foundations and Advances 71, a1 (2015): s100. http://dx.doi.org/10.1107/s205327331509854x.

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30

Howard, Christopher J., and Harold T. Stokes. "Group-Theoretical Analysis of Octahedral Tilting in Perovskites. Erratum." Acta Crystallographica Section B Structural Science 58, no. 3 (2002): 565. http://dx.doi.org/10.1107/s010876810200890x.

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An error has been noted within Fig. 1 of the paper by Howard & Stokes (1998). There is a group–subgroup relationship between I4/mcm (a 0 a 0 c −) and C2/c (a − b − b −), and this should be indicated on the figure by a continuous line joining the corresponding boxes. The corrected version of the figure is shown here.

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31

Stokes, Harold T., Erich H. Kisi, Dorian M. Hatch, and Christopher J. Howard. "Group-theoretical analysis of octahedral tilting in ferroelectric perovskites." Acta Crystallographica Section B Structural Science 58, no. 6 (2002): 934–38. http://dx.doi.org/10.1107/s0108768102015756.

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Group-theoretical methods are used to analyze perovskite structures where both ferroelectric cation displacements and simple tilting of octahedral units are present. This results in a list of 40 different structures, each with a unique space-group symmetry. The list is compared with that of Aleksandrov & Bartolomé [Phase Transit. (2001), 74, 255–335] and a number of differences are found. The group–subgroup relationships between the structures are also determined, along with an indication of those phase transitions that must be first order by Landau theory.

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32

Butler, Keith T. "The chemical forces underlying octahedral tilting in halide perovskites." Journal of Materials Chemistry C 6, no. 44 (2018): 12045–51. http://dx.doi.org/10.1039/c8tc02976h.

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Cochrane, Amber K., Michael Telfer, Charlotte A. L. Dixon, et al. "NdBaScO4: aristotype of a new family of geometric ferroelectrics?" Chemical Communications 52, no. 73 (2016): 10980–83. http://dx.doi.org/10.1039/c6cc05940f.

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Martin, C. David, Yue Meng, Vitali Prakapenka, and John B. Parise. "Gasketing optimized for large sample volume in the diamond anvil cell: first application to MgGeO3and implications for structural systematics of the perovskite to post-perovskite transition." Journal of Applied Crystallography 41, no. 1 (2008): 38–43. http://dx.doi.org/10.1107/s0021889807050029.

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Structure models of MgGeO3post-perovskite (Cmcm) are presented, along with a structure survey, demonstrating that all perovskite, post-perovskite and CaIrO3-type structures (ABX3) have specific ranges of the volume ratio between cation-centered polyhedra (VA:VB). The quality of the reported diffraction data and MgGeO3structure models is enhancedviaimplementation of a new graphite gasket for the diamond anvil cell, which stabilizes a larger sample volume, improving powder statistics during X-ray diffraction, andviathe thermal insulation required to achieve ultra-high temperatures while laser-he

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35

McNulty, Jason A., and Philip Lightfoot. "Structural chemistry of layered lead halide perovskites containing single octahedral layers." IUCrJ 8, no. 4 (2021): 485–513. http://dx.doi.org/10.1107/s2052252521005418.

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We present a comprehensive review of the structural chemistry of hybrid lead halides of stoichiometry APbX 4, A 2PbX4 or A A′PbX 4, where A and A′ are organic ammonium cations and X = Cl, Br or I. These compounds may be considered as layered perovskites, containing isolated, infinite layers of corner-sharing PbX 4 octahedra separated by the organic species. First, over 250 crystal structures were extracted from the CCDC and classified in terms of unit-cell metrics and crystal symmetry. Symmetry mode analysis was then used to identify the nature of key structural distortions of the [PbX 4]∞ lay

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36

Howard, Christopher J., and Harold T. Stokes. "Octahedral tilting in cation-ordered perovskites – a group-theoretical analysis." Acta Crystallographica Section B Structural Science 60, no. 6 (2004): 674–84. http://dx.doi.org/10.1107/s0108768104019901.

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Group-theoretical methods are used to enumerate the structures of ordered perovskites, in which 1:2 and 1:3 ordering of B and B′ cations is considered in combination with the ubiquitous BX 6 (or B′X 6) octahedral tilting. The cation ordering on the B-cation site is described by irreducible representations of the Pm\bar 3m space group of the cubic aristotype: Λ1 ( k = 1/3,1/3,1/3) for the cation ordering pattern in the 1:2 compound A 3 BB_2^{\prime}X 9 and M_1^ + ( k = 1/2,1/2,0) for the cation ordering in the 1:3 compound A 4 BB_3^{\prime}X 12. The octahedral tilting is mediated by the irreduc

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37

Gao, Lingyuan, Lena Yadgarov, Rituraj Sharma, et al. "Metal cation s lone-pairs increase octahedral tilting instabilities in halide perovskites." Materials Advances 2, no. 14 (2021): 4610–16. http://dx.doi.org/10.1039/d1ma00288k.

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38

Schwingenschlögl, U., V. Eyert, and U. Eckern. "Octahedral tilting in ACu3Ru4O12 (A=Na, Ca, Sr, La, Nd)." Chemical Physics Letters 370, no. 5-6 (2003): 719–24. http://dx.doi.org/10.1016/s0009-2614(03)00201-x.

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39

Maughan, Annalise E., Alex M. Ganose, Andrew M. Candia, Juliette T. Granger, David O. Scanlon, and James R. Neilson. "Anharmonicity and Octahedral Tilting in Hybrid Vacancy-Ordered Double Perovskites." Chemistry of Materials 30, no. 2 (2017): 472–83. http://dx.doi.org/10.1021/acs.chemmater.7b04516.

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40

Lee, Jung-Hoon, Nicholas C. Bristowe, June Ho Lee, et al. "Resolving the Physical Origin of Octahedral Tilting in Halide Perovskites." Chemistry of Materials 28, no. 12 (2016): 4259–66. http://dx.doi.org/10.1021/acs.chemmater.6b00968.

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41

López, Carlos A., José C. Pedregosa, María T. Fernández-Díaz, and José A. Alonso. "High-temperature dynamic octahedral tilting in the ionic conductor Sr11Mo4O23." Journal of Applied Crystallography 49, no. 1 (2016): 78–84. http://dx.doi.org/10.1107/s160057671502261x.

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This work presents the crystal structure evolution of a novel ionic conductor Sr11Mo4O23at high temperature. The formula of this phase can be rewritten as Sr1.75□0.25SrMoO5.75, highlighting the relationship with double perovskitesA2B′B′′O6. The crystal network contains oxygen-anion and strontium-cation vacancies. The structure is complex; Sr, Mo and O atoms are distributed in four, two and six distinct Wyckoff sites, respectively. It was refined from neutron powder diffraction data collected at 473, 673, 873 and 1073 K. The thermal evolution of crystallographic parameters supports the known re

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Maier, Bernd J., Ross J. Angel, William G. Marshall, et al. "Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure." Acta Crystallographica Section B Structural Science 66, no. 3 (2010): 280–91. http://dx.doi.org/10.1107/s0108768110014631.

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We have employed a combination of powder neutron diffraction and single-crystal synchrotron X-ray diffraction to characterize the pressure-induced phase transitions that occur in the perovskite-type relaxor ferroelectric PbSc0.5Ta0.5O3 (PST) and Pb0.78Ba0.22Sc0.5Ta0.5O3 (PST-Ba). At ambient pressure the symmetry of the average structure for both compounds is Fm\bar{3}m as a result of partial ordering of the Sc and Ta cations on the octahedral sites. At pressures above the phase transition both the neutron and X-ray diffraction patterns exhibit an increase in the intensities of h,k,l = all odd

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Garcia-Fernandez, P., J. A. Aramburu, M. T. Barriuso, and M. Moreno. "Key Role of Covalent Bonding in Octahedral Tilting in Perovskites." Journal of Physical Chemistry Letters 1, no. 3 (2010): 647–51. http://dx.doi.org/10.1021/jz900399m.

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Su, I.-Wei, Chen-Chia Chou, and Dah-Shyang Tsai. "Octahedral Tilting Domain Boundary in Calcium-Modified Lead Titanate Ceramics." Integrated Ferroelectrics 48, no. 1 (2002): 69–78. http://dx.doi.org/10.1080/10584580215456.

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Cordero, F., F. Trequattrini, F. Craciun, and C. Galassi. "Octahedral tilting, monoclinic phase and the phase diagram of PZT." Journal of Physics: Condensed Matter 23, no. 41 (2011): 415901. http://dx.doi.org/10.1088/0953-8984/23/41/415901.

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Menahem, Matan, Zhenbang Dai, Sigalit Aharon, et al. "Strongly Anharmonic Octahedral Tilting in Two-Dimensional Hybrid Halide Perovskites." ACS Nano 15, no. 6 (2021): 10153–62. http://dx.doi.org/10.1021/acsnano.1c02022.

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Wang, Yanju, Lingkong Zhang, Shuailing Ma, Yongsheng Zhao, Dayong Tan, and Bin Chen. "Octahedral tilting dominated phase transition in compressed double perovskite Ba2SmBiO6." Applied Physics Letters 118, no. 23 (2021): 231903. http://dx.doi.org/10.1063/5.0054742.

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Howard, Christopher J., and Michael A. Carpenter. "Octahedral tilting in cation-ordered Jahn–Teller distorted perovskites – a group-theoretical analysis." Acta Crystallographica Section B Structural Science 66, no. 1 (2009): 40–50. http://dx.doi.org/10.1107/s0108768109048010.

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Computer-based group-theoretical methods are used to enumerate structures arising in A 2 BB′X 6 perovskites, with either rock-salt or checkerboard ordering of the B and B′ cations, under the additional assumption that one of these two cations is Jahn–Teller active and thereby induces a distortion of the BX 6 (or B′X 6) octahedron. The requirement to match the pattern of Jahn–Teller distortions to the cation ordering implies that the corresponding irreducible representations should be associated with the same point in the Brillouin zone. Effects of BX 6 (and B′X 6) octahedral tilting are includ

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Wu, Yue, Trevor Binford, Joshua A. Hill, Sammy Shaker, John Wang, and Anthony K. Cheetham. "Hypophosphite hybrid perovskites: a platform for unconventional tilts and shifts." Chemical Communications 54, no. 30 (2018): 3751–54. http://dx.doi.org/10.1039/c8cc00907d.

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Following the recent discovery of the [A]Mn(H<sub>2</sub>POO)<sub>3</sub> perovskite family, we report the A = dimethylammonium member. We then enumerate the unusual octahedral tilting and shifting observed across this perovskite family.

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Eriksson Andersson, Annika K., Sverre M. Selbach, Tor Grande та Christopher S. Knee. "Thermal evolution of the crystal structure of proton conducting BaCe0.8Y0.2O3−δ from high-resolution neutron diffraction in dry and humid atmosphere". Dalton Transactions 44, № 23 (2015): 10834–46. http://dx.doi.org/10.1039/c4dt03948c.

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The crystal structure of the proton conducting perovskite, BaCe<sub>0.8</sub>Y<sub>0.2</sub>O<sub>3−δ</sub>, is found to show a remarkable dependence on temperature and humidity, with hydration favouring enhanced octahedral tilting.

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