Papers citing Ellipsoidal analysis of coordination polyhedra
Breaking the aristotype: featurisation of polyhedral distortions in perovskite crystals
ChemRxiv · 2021
Kazuki Morita, Daniel W. Davies, Keith T. Butler, Aron Walsh
Read original paper ↗ ·Breaking the aristotype: featurisation of polyhedral distortions in perovskite crystals
Venue not supplied by source · 2021
Kazuki Morita, Daniel W. Davies, Keith T. Butler, Aron Walsh
Read original paper ↗ ·Composition-driven archetype dynamics in polyoxovanadates
Chemical Science · 2022
Aleksandar Kondinski, Maren Rasmussen, Sebastian Mangelsen, Nicole Pienack, Viktor Simjanoski, Christian Näther, Daniel L. Stares, Christoph A. Schalley, Wolfgang Bensch
Read original paper ↗ ·Ferromagnetic and Antiferromagnetic Orders in Low Dimensional Pbbife1-Xmxo4 (M = Mn and Co) Solid Solutions
SSRN Electronic Journal · 2022
Congling Yin, Junkun Wu, Xiaohui Yan, Xiuyun Lei, Lunhua He, Wenbin Guo, Shiguang Yan, Xiaojun Kuang
Read original paper ↗ ·Breaking the Aristotype: Featurization of Polyhedral Distortions in Perovskite Crystals
Chemistry of Materials · 2022
Kazuki Morita, Daniel W. Davies, Keith T. Butler, Aron Walsh
Read original paper ↗ ·Variable Temperature Neutron Diffraction Study of the Oxide Ion Conductor Ba3VWO8.5
Inorganic Chemistry · 2022
Asma Gilane, Sacha Fop, Dylan N. Tawse, C. Ritter, Abbie Christina Mclaughlin
Read original paper ↗ ·Electronic phase separation in the hexagonal perovskite Ba3SrMo2O9
Physical Review Materials · 2022
Struan Simpson, Sacha Fop, Harriet Alexandra Hopper, Gavin B. G. Stenning, C. Ritter, Abbie Christina Mclaughlin
Read original paper ↗ ·The Role of the Bi3+ Lone Pair Effect in Bi(H3O)(SO4)2, Bi(HSO4)3, and Bi2(SO4)3
Inorganic Chemistry · 2022
Matthias Hämmer, Jakoah Brgoch, Philip Netzsch, Henning A. Höppe
Read original paper ↗ ·Magnetism and the Trimeron Bond
Chemistry of Materials · 2022
John Paul Attfield
Read original paper ↗ ·Physics-Guided Descriptors for Prediction of Structural Polymorphs
The Journal of Physical Chemistry Letters · 2022
Bastien F. Grosso, Nicola A. Spaldin, Aria Mansouri Tehrani
Read original paper ↗ ·Crystal structure, electronic structure, and optical properties of the novel Li 4 CdGe 2 S 7 , a wide-bandgap quaternary sulfide with a polar structure derived from lonsdaleite
Acta Crystallographica Section C Structural Chemistry · 2022
Andrew J. Craig, Seung Han Shin, Jeong Bin Cho, Srikanth Balijapelly, Jordan C. Kelly, Stanislav S. Stoyko, Amitava Choudhury, Joon Ik Jang, Jennifer A. Aitken
Read original paper ↗ ·New As-Rich Arsenato-Polyoxovanadate Clusters: Solvothermal Synthesis and Selected Properties of [V6IVAs8IIIO26]4− Cluster-Containing Compounds
Crystals · 2022
Maren Rasmussen, Christian Näther, Wolfgang Bensch
Read original paper ↗ ·Octahedral Tilting in Homologous Perovskite Series CaMoO3-SrMoO3-BaMoO3 Probed by Temperature-Dependent EXAFS Spectroscopy
Materials · 2022
G. Bakradze, Alexei Kuzmin
Read original paper ↗ ·Structural Influence of Lone Pairs in GeP2N4, a Germanium(II) Nitridophosphate
Angewandte Chemie International Edition · 2022
Sebastian J. Ambach, Cody Somers, Tristan de Boer, Lucien Eisenburger, A. Moewes, Wolfgang Schnick
Read original paper ↗ ·Structural Influence of Lone Pairs in GeP2N4, a Germanium(II) Nitridophosphate
Angewandte Chemie · 2022
Sebastian J. Ambach, Cody Somers, Tristan de Boer, Lucien Eisenburger, A. Moewes, Wolfgang Schnick
Read original paper ↗ ·Ferromagnetic and antiferromagnetic orders in low dimensional PbBiFe1-xMxO4 (M = Mn and Co) solid solutions
Journal of Solid State Chemistry · 2022
Junkun Wu, Xiaohui Yan, Xiuyun Lei, Lunhua He, Wenbin Guo, Shiguang Yan, Xiaojun Kuang, Congling Yin
Read original paper ↗ ·A Variable Temperature Neutron Diffraction Study of Dual Ion Conducting Sr3v2o8
SSRN Electronic Journal · 2023
Abbie Christina Mclaughlin, Dylan N. Tawse, Sacha Fop, C. Ritter, Alfonso Martı́nez-Felipe
Read original paper ↗ ·Metallic to half-metallic transition driven by pressure and anion composition in niobium oxyfluoride
Journal of Materials Chemistry C · 2023
Eliza K. Dempsey, James C. Cumby
Read original paper ↗ ·Enhanced Oxide Ion Conductivity by Ta Doping of Ba3Nb1–xTaxMoO8.5
Inorganic Chemistry · 2023
Brent Sherwood, Eve J. Wildman, Ronald I. Smith, Abbie Christina Mclaughlin
Read original paper ↗ ·Partitioning the Two-Leg Spin Ladder in Ba2Cu1 – xZnxTeO6: From Magnetic Order through Spin-Freezing to Paramagnetism
Chemistry of Materials · 2023
Charlotte Pughe, Otto Mustonen, Alexandra S. Gibbs, Stephen Lee, Rhea Stewart, B. Gade, Chennan Wang, Hubertus Luetkens, Anna Foster, Fiona C. Coomer, H. Takagi, Edmund J. Cussen
Read original paper ↗ ·Combining M N 6 Octahedra and PN 5 Trigonal Bipyramids in the Mica‐like Nitridophosphates M P 6 N 11 ( M =Al, In)
Angewandte Chemie International Edition · 2023
Sebastian J. Ambach, Monika M. Pointner, Sophie Falkai, Carsten Paulmann, Oliver Oeckler, Wolfgang Schnick
Read original paper ↗ ·Combining M N 6 Octahedra and PN 5 Trigonal Bipyramids in the Mica‐like Nitridophosphates M P 6 N 11 ( M =Al, In)
Angewandte Chemie · 2023
Sebastian J. Ambach, Monika M. Pointner, Sophie Falkai, Carsten Paulmann, Oliver Oeckler, Wolfgang Schnick
Read original paper ↗ ·Accurate X-ray diffraction data required for proper evaluation of bond valence sums and global instability indexes: redetermination of the crystal structures of diamond-like Cu 2 CdSiS 4 and Cu 2 HgSnS 4 as a case study
Acta Crystallographica Section C Structural Chemistry · 2023
M.M. Treece, Jordan C. Kelly, Kate E. Rosello, Andrew J. Craig, Jennifer A. Aitken
Read original paper ↗ ·Polynator : a tool to identify and quantitatively evaluate polyhedra and other shapes in crystal structures
Journal of Applied Crystallography · 2023
Lukas Link, Rainer Niewa
Read original paper ↗ ·Crystal structure, electronic structure, and optical properties of Cu4ZnGe2S7 and Cu4CdGe2S7: Polar diamond-like semiconductors exhibiting second harmonic generation
Journal of Alloys and Compounds · 2023
Jordan C. Kelly, Chad E. Hoyer, Seung Han Shin, Jeong Bin Cho, Stanislav S. Stoyko, Allyson Bonnoni, Andrew J. Craig, Kate E. Rosello, Evan T. O’Hara, Joon Ik Jang, Jennifer A. Aitken
Read original paper ↗ ·Van Vleck analysis of angularly distorted octahedra using VanVleckCalculator
Journal of Applied Crystallography · 2023
Liam A. V. Nagle‐Cocco, Siân E. Dutton
Read original paper ↗ ·A variable temperature neutron diffraction study of dual ion conducting Sr3V2O8
Journal of Solid State Chemistry · 2023
Dylan N. Tawse, Sacha Fop, C. Ritter, Alfonso Martı́nez-Felipe, Abbie Christina Mclaughlin
Read original paper ↗ ·Single crystal perovskite an emerging photocatalytic and storage material: Synthesis to applications via theoretical insight
Physics Reports · 2024
Newmoon Priyadarshini, Sriram Mansingh, Kundan Kumar Das, Ritik Mohanty, Kaushik Parida, Gayatree Barik, Kulamani M. Parida
Read original paper ↗ ·Machine learning of 27Al NMR quadrupolar tensors for crystalline structures from DFT
ChemRxiv · 2024
He Sun, Shyam Dwaraknath, Michael E. West, Handong Ling, Kristin Aslaug Persson, Sophia E. Hayes
Read original paper ↗ ·Solvothermal synthesis and selected properties of {[Ni(dien)2]3[V6As8O26]}2+·2 Cl– featuring the small [V6 IVAs8 IIIO26]4– cluster anion
Zeitschrift für Naturforschung B · 2024
Maren Rasmussen, Christian Näther, Wolfgang Bensch
Read original paper ↗ ·Low-temperature synthesis, crystal structure, and ionic mobility in KTiOPO4-structured RbVOPO4
Materials Research Bulletin · 2024
Aleksandr Sh. Samarin, Artem D. Dembitskiy, Аlexey V. Ivanov, Mikhail Yu. Tashlanov, Alexander A. Golubnichiy, Ivan A. Trussov, Dmitry A. Aksyonov, Artem M. Abakumov, Stanislav S. Fedotov
Read original paper ↗ ·Building Nitridic Networks with Phosphorus and Germanium–from GeIIP2N4 to GeIVPN3
Inorganic Chemistry · 2024
Sebastian J. Ambach, Georg Krach, Elena A. Bykova, Kristian Witthaut, Nico Giordano, Maxim Bykov, Wolfgang Schnick
Read original paper ↗ ·Mixed Tin Valence in the Tin(II/IV)‐Nitridophosphate Sn3P8N16
Chemistry - A European Journal · 2024
Sebastian J. Ambach, Aylin Koldemir, Kristian Witthaut, Sandra Kreiner, Thomas Bräuniger, Rainer Pöttgen, Wolfgang Schnick
Read original paper ↗ ·CaLi2PN3 – A Quaternary Chain‐Type Nitridophosphate by Medium‐Pressure Synthesis
Chemistry - A European Journal · 2024
Reinhard M. Pritzl, Nadine Fahle, Kristian Witthaut, Sebastian Wendl, Wolfgang Schnick
Read original paper ↗ ·Screening Strategy Identifies an Overlooked Deep‐Ultraviolet Transparent Nonlinear Optical Crystal
Angewandte Chemie · 2024
Jia-Xiang Zhang, Qing-Gang Yue, Shenghua Zhou, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu
Read original paper ↗ ·Screening Strategy Identifies an Overlooked Deep‐Ultraviolet Transparent Nonlinear Optical Crystal
Angewandte Chemie International Edition · 2024
Jia-Xiang Zhang, Qing-Gang Yue, Shenghua Zhou, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu
Read original paper ↗ ·Tuning of the ionic conductivity of Ba 7 Nb 4 MoO 20 by pressure: a neutron diffraction and atomistic modelling study
Journal of Materials Chemistry A · 2024
Victoria Watson, Ying Zhou, Dylan N. Tawse, Oscar J. B. Ballantyne, Christopher J. Ridley, James Alexander Dawson, Abbie Christina Mclaughlin
Read original paper ↗ ·Decoding Variants of Pyrite, Arsenopyrite, and Marcasite Using an Electron Counting Rule
Angewandte Chemie International Edition · 2025
Kristian Witthaut, Sandra Kreiner, Dirk Johrendt
Read original paper ↗ ·Dekodierung von Pyrit, Arsenopyrit und Markasit Varianten mittels einer Elektronenzählregel
Angewandte Chemie · 2025
Kristian Witthaut, Sandra Kreiner, Dirk Johrendt
Read original paper ↗ ·Cobalt‐Mediated SS Bond Formation: Crystal Structure and Spectroscopic Properties of [Co2(S2)2(tren)2]3[SbS4]2·21.5 H2O Containing a Co2S4 Heterocycle
European Journal of Inorganic Chemistry · 2025
Felix Danker, Henning Lühmann, Christian Näther, Tobias A. Engesser, Wolfgang Bensch
Read original paper ↗ ·Machine learning of 27Al NMR electric field gradient tensors for crystalline structures from DFT
Scientific Reports · 2025
He Sun, Shyam Dwaraknath, Handong Ling, Kristin Aslaug Persson, Sophia E. Hayes
Read original paper ↗ ·Study on Lapping Mechanism of Different Crystal Planes of Indium Phosphide: Molecular Dynamics Simulation and Experimental Verification
Langmuir · 2025
Xiaoning Wen, Jiayun Deng, Zilei Bai, Jiacheng Geng, Hua Wei, Hanbao Liu, Feng Qiu, Feng Hui
Read original paper ↗ ·Enhanced Oxide Ion Diffusion by Lanthanum Substitution in the Palmierite Sr 3–3 x La 2 x V 2 O 8 via Increased Tetrahedral Distortion and Cation Vacancies
Chemistry of Materials · 2025
Victoria Watson, Ying Zhou, Ronald I. Smith, Sacha Fop, Yi Sun, Zongping Shao, San Ping Jiang, Oscar J. B. Ballantyne, James Alexander Dawson, Abbie Christina Mclaughlin
Read original paper ↗ ·Determining molecular structure, coordination geometry, and molecular symmetry using a continuous symmetry operation measure software
Nature Communications · 2025
Villads R. M. Nielsen, Thomas Just Sørensen
Read original paper ↗ ·Comparative study of the structural, optical and photocatalytic properties of strontium doped β-tricalcium phosphate (Ca3(PO4)2) toward degradation of rhodamine B
Materials chemistry and physics. · 2025
Chandrakant H. Jadhav, Iain R. Gibson, Pavan K. Pagare, J.M.S. Skakle
Read original paper ↗ ·Iodine Close Packing in Hybrid Halide Bismuth(III) and Antimony(III) Semiconductors: (NH 3 (CH 2 ) 7 NH 3 ) 2 Bi 2 I 10 and (NH 3 (CH 2 ) 7 NH 3 ) 2 Sb 2 I 10
Inorganic Chemistry · 2026
Shelby R. Lane, Dominic Cudjoe Asebiah, Alexander G. Squires, Autumn N. Peters, Luke T. MacHale, Lauren Borgia, Mirella K. Villani, David O. Scanlon, Obadiah G. Reid, James Richmond Neilson
Read original paper ↗ ·Mineral‐Inspired and Computation‐Assisted Rational Design of Polar Gittinsite‐Type Thiophosphates With Exceptional Nonlinear Optical Performance
Advanced Functional Materials · 2026
Mao‐Yin Ran, Shao-Peng Gui, Jian Cheng, Yu‐Xuan Zhang, Wen‐Dong Yao, Wenlong Liu, Sheng‐Ping Guo
Read original paper ↗ ·Investigation of V5+ substitution on the crystal structure and oxide ion conductivity of Ba7Nb4MoO20
Journal of Solid State Chemistry · 2026
Dylan N. Tawse, Sacha Fop, LINDSAY Thomas, C. Ritter, Abbie Christina Mclaughlin
Read original paper ↗ ·