Information card for entry 1571399

Structure parameters

• Formula: F6 O3 Pb2 Se Si
• Calculated formula: F6 O3 Pb2 Se Si
• Title of publication: Pb₂(SeO₃)(SiF₆): the first selenite fluorosilicate with a wide bandgap and large birefringence achieved through perfluorinated group modification.
• Authors of publication: Li, Peng-Fei; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 7104 - 7110
• a: 13.8153 ± 0.0004 Å
• b: 5.447 ± 0.0002 Å
• c: 9.6098 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 723.16 ± 0.04 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No