Information card for entry 2004184

Structure parameters

• Formula: S1.68 Se0.32 Ta3
• Calculated formula: S1.673 Se0.327 Ta3
• Title of publication: Ta~3~S~2{-~<i>x</i>}Se~<i>x~</i>, Partial Substitution of Selenium for Sulfur into a Tantalum-Rich Sulfide
• Authors of publication: Degen, T.; Harbrecht, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2218 - 2220
• a: 7.5018 ± 0.001 Å
• b: 17.358 ± 0.004 Å
• c: 5.6204 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 731.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 39
• Hermann-Mauguin space group symbol: A b m 2
• Hall space group symbol: A 2 -2b
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for all reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0397
• Goodness-of-fit parameter for all reflections: 0.916
• Goodness-of-fit parameter for significantly intense reflections: 0.97
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No