Information card for entry 2002081

Structure parameters

• Formula: Cr0.5 K0.5 S2 Sn0.5
• Calculated formula: Cr0.5 K0.5 S2
• Title of publication: Synthesis and structures of the quaternary sulfides K~0.5~Zr~0.5~In~0.5~S~2~ and K~0.5~Cr~0.5~Sn~0.5~S~2~
• Authors of publication: Wu, P.; Ibers, J. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 126 - 129
• a: 3.5786 ± 0.0005 Å
• b: 3.5786 ± 0.0005 Å
• c: 24.832 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 275.4 ± 0.1 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 4
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Weighted residual factors for all reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.1
• Goodness-of-fit parameter for all reflections: 1.91
• Goodness-of-fit parameter for significantly intense reflections: 1.91
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No