Information card for entry 4310922

Structure parameters

• Formula: Cs2 P2 S12 Ta2
• Calculated formula: Cs2 P2 S12 Ta2
• Title of publication: Synthesis, Crystal Structures, and Optical Properties of Two New Layered Quaternary Tantalum Thiophosphates and the Thermal Conversion of Cs4Ta4P4S24 into Cs2Ta2P2S12
• Authors of publication: Andreas Gutzmann; Christian Näther; Wolfgang Bensch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2998 - 3004
• a: 8.8619 ± 0.0018 Å
• b: 12.5 ± 0.003 Å
• c: 17.408 ± 0.004 Å
• α: 90°
• β: 99.23 ± 0.03°
• γ: 90°
• Cell volume: 1903.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No