Information card for entry 7707083

Structure parameters

• Formula: La P3 Si
• Calculated formula: La P3 Si
• Title of publication: Third time's the charm: intricate non-centrosymmetric polymorphism in <i>Ln</i>SiP₃ (<i>Ln</i> = La and Ce) induced by distortions of phosphorus square layers.
• Authors of publication: Akopov, Georgiy; Mark, Justin; Viswanathan, Gayatri; Lee, Shannon J.; McBride, Brennan C.; Won, Juyeon; Perras, Frédéric A; Paterson, Alexander L.; Yuan, Bing; Sen, Sabyasachi; Adeyemi, Adedoyin N.; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Miller, Gordon J.; Kovnir, Kirill
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 19
• Pages of publication: 6463 - 6476
• a: 4.3162 ± 0.0002 Å
• b: 12.809 ± 0.0007 Å
• c: 7.8719 ± 0.0005 Å
• α: 90°
• β: 93.671 ± 0.002°
• γ: 90°
• Cell volume: 434.31 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No