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RESEARCH PAPER · SSRN Electronic Journal · 2022

Synthesis, Crystal Structure and 19f Nmr Parameters Modelling of Catif6(H2o)2 Yielding to a Revision of the Bond-Valence Parameters for the Ti4+/F- Ion Pair

Christophe Legein, Monique Body, Jérôme Lhoste, Wei Li, Thibault Charpentier, Damien Dambournet

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7 direct citing papers in this saved network. Explore the next layer with second-order citations.

Open in your workspace →Saved 2026-10-12 · complete coverage
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Synthesis, Crystal Structure and 19f Nmr Parameters Modelling of Catif6(H2o)2 Yielding to a Revision of the Bond-Valence Parameters for the Ti4+/F- Ion PairOriginalStructural Modeling of O/F Correlated Disorder in TaOF3 and NbOF3–x(OH)x by Coupling Solid-State NMR and DFT Calculations7Structural modeling of oxygen-fluorine ordering in transition metal inorganic oxyfluorides0Enhancing Li-ion diffusivity of Li1.3Al0.3Ti1.7(PO4)3 through liquid-electrolytes-induced secondary crystallization7Theory and computation of nuclear shielding2Synthesis, electronic property, and negative thermal expansion in cubic CaTiF 69Revealed Preferential Short-Range Anion Ordering in Disordered RbM2O5F (M = Nb, Ta) Pyrochlore-Type Oxyfluorides2DFT and TD‐DFT Study of Al‐Based Fluoro‐Perovskites AlMF 3 (M = Ca, Zn, Ge) for Photovoltaic Applications3

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  1. Structural Modeling of O/F Correlated Disorder in TaOF3 and NbOF3–x(OH)x by Coupling Solid-State NMR and DFT Calculations

    Inorganic Chemistry · 2023-09-25

    Ouail Zakary, Monique Body, Thibault Charpentier, Vincent Sarou‐Kanian, Christophe Legein

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  2. Structural modeling of oxygen-fluorine ordering in transition metal inorganic oxyfluorides

    Unknown journal · 2023-12-08

    Ouail Zakary

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  3. Enhancing Li-ion diffusivity of Li1.3Al0.3Ti1.7(PO4)3 through liquid-electrolytes-induced secondary crystallization

    Energy storage materials · 2024-08-25

    Bao Zhang, Yongjian Zhou, Xiaohan Yu, Zhenchao Zhao, Xiao Huang, Yi Ji, Lixin Liang, Fan Li, Yan Yang, Guangjin Hou

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  4. Theory and computation of nuclear shielding

    Royal Society of Chemistry eBooks · 2024-11-15

    Teobald Kupka

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  5. Synthesis, electronic property, and negative thermal expansion in cubic CaTiF 6

    Nano Research · 2025-01-08

    Kaiyue Zhao, Peixian Zhang, Yixin Jiao, Fei Wang, Juan Guo, Yongqiang Qiao, Qiang Sun, Qilong Gao

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  6. Revealed Preferential Short-Range Anion Ordering in Disordered RbM2O5F (M = Nb, Ta) Pyrochlore-Type Oxyfluorides

    Inorganic Chemistry · 2025-03-12

    Ouail Zakary, Monique Body, Vincent Sarou‐Kanian, Thibault Charpentier, Christophe Legein

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  7. DFT and TD‐DFT Study of Al‐Based Fluoro‐Perovskites AlMF 3 (M = Ca, Zn, Ge) for Photovoltaic Applications

    Advanced Theory and Simulations · 2026-03-01

    Pooja Sharma, Prabhat Ranjan, Tanmoy Chakraborty

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