Information card for entry 2002080

Structure parameters

• Chemical name: potassium zirconium indium sulfide
• Formula: In0.5 K0.5 S2 Zr0.5
• Calculated formula: K0.5 S2 Zr0.5
• 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: 3.721 ± 0.001 Å
• b: 3.721 Å
• c: 16.639 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 199.5 ± 0.1 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Weighted residual factors for all reflections: 0.111
• Weighted residual factors for significantly intense reflections: 0.111
• Goodness-of-fit parameter for all reflections: 2.3
• Goodness-of-fit parameter for significantly intense reflections: 2.3
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No