Information card for entry 4317612

Structure parameters

• Chemical name: potassium selenophosphate bishexaselenium(0)
• Formula: K3 P Se16
• Calculated formula: K3 P Se16
• SMILES: [K+].[K+].P(=[Se])([Se-])([Se-])[Se-].[Se]1[Se][Se][Se][Se][Se]1.[K+].[Se]1[Se][Se][Se][Se][Se]1
• Title of publication: Solvothermal Synthesis and Structure of a New Selenium-Rich Selenophosphate K3PSe4.2Se6
• Authors of publication: Christine A. Dickerson; Mary J. Fisher; Richard E. Sykora; Thomas E. Albrecht-Schmitt; Jason A. Cody
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 640 - 642
• a: 16.4151 ± 0.0019 Å
• b: 16.4151 ± 0.0019 Å
• c: 16.4151 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4423.1 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 203
• Hermann-Mauguin space group symbol: F d -3 :2
• Hall space group symbol: -F 2uv 2vw 3
• Residual factor for all reflections: 0.0169
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No