Information card for entry 1548781

Structure parameters

• Formula: F2 N Na0.985 O3 Pb1.015
• Calculated formula: F2 N Na0.985 O3 Pb1.015
• Title of publication: One disorder out of two orders: Synthesis and crystal structures of cation-ordered PbNaF2NO3, anion-ordered Pb2OFNO3, and continuous disordered (Pb, Na)2(O,F)2-deltaNO3 solid solution with Sillen-derived structures
• Authors of publication: Dmitri O. Charkin; Igor V. Plokhikh; Alexandr N. Zaloga; Maxim V. Lobanov; Sergey M. Kazakov
• Journal of publication: Solid State Sciences
• Year of publication: 2017
• Journal volume: 71
• Pages of publication: 111 - 116
• a: 5.57374 ± 0.00006 Å
• b: 14.11358 ± 0.00016 Å
• c: 5.63458 ± 0.00007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 443.247 ± 0.009 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0115
• Residual factor for significantly intense reflections: 0.0115
• Weighted residual factors for all reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0159
• Goodness-of-fit parameter for all reflections: 2.16
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No