Information card for entry 1561665

Structure parameters

• Formula: H1.64 K0.38 Mo O0.82 S2
• Calculated formula: K0.38 Mo S2
• Title of publication: Synthesis, crystal structures and physical properties of A(H2O) MoS2 (A = K, Rb, Cs)
• Authors of publication: Mao, Yuanlv; Fang, Yuqiang; Pan, Jie; Wang, Dong; Bu, Kejun; Che, Xiangli; Zhao, Wei; Huang, Fuqiang
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2019
• Journal volume: 279
• Pages of publication: 120937
• a: 5.6942 ± 0.001 Å
• b: 3.2433 ± 0.0006 Å
• c: 9.3601 ± 0.0016 Å
• α: 90°
• β: 100.616 ± 0.006°
• γ: 90°
• Cell volume: 169.9 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No