Information card for entry 1561121

Structure parameters

• Formula: Cd6 H0 O19.34 P1.34 Se4.66
• Calculated formula: Cd6 O19.346 P1.346 Se4.654
• Title of publication: Three new d10 transition metal selenites containing PO4 tetrahedron: Cd7(HPO4)2(PO4)2(SeO3)2, Cd6(PO4)1.34(SeO3)4.66 and Zn3(HPO4)(SeO3)2(H2O)
• Authors of publication: Ma, Yun-Xiang; Gong, Ya-Ping; Hu, Chun-li; Mao, Jiang-Gao; Kong, Fang
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 262
• Pages of publication: 320 - 326
• a: 8.2804 ± 0.0006 Å
• b: 12.2295 ± 0.0007 Å
• c: 9.5019 ± 0.0008 Å
• α: 90°
• β: 107.979 ± 0.008°
• γ: 90°
• Cell volume: 915.23 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0219
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No