Information card for entry 4030814

Structure parameters

• Formula: Ba0.8 Cu2 K0.2 S2
• Calculated formula: Ba0.4 Cu2 K0.101 S2
• Title of publication: Synthesis, crystal structure and physical properties of new quaternary sulfides with the BaCu2S2-type
• Authors of publication: Mouallem-Bahout, M.; Potel, M.; Halet, J.-F.; Padiou, J.; Carel, C.; Retat-Savel-Eva, M.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 33
• Pages of publication: 483 - 493
• a: 3.8925 ± 0.0003 Å
• b: 3.8925 ± 0.0003 Å
• c: 12.682 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 192.15 ± 0.05 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No