Information card for entry 1566610

Structure parameters

• Common name: [K3Cl][Mn2Ga6S12]
• Formula: Cl Ga6 K3 Mn2 S12
• Calculated formula: Cl Ga6 K3 Mn2 S12
• Title of publication: Broad transparency and wide band gap achieved in a magnetic infrared nonlinear optical chalcogenide by suppressing d-d transitions.
• Authors of publication: Liu, Bin-Wen; Pei, Shao-Min; Jiang, Xiao-Ming; Guo, Guo-Cong
• Journal of publication: Materials horizons
• Year of publication: 2022
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 1513 - 1517
• a: 10.9208 ± 0.0004 Å
• b: 10.9208 ± 0.0004 Å
• c: 6.1774 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 638.04 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No