Information card for entry 2020009

Structure parameters

• Chemical name: Potassium neodymium sufide
• Formula: K Nd S2
• Calculated formula: K Nd S2
• Title of publication: Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion
• Authors of publication: Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: 623 - 630
• a: 4.1626 ± 0.0003 Å
• b: 4.1626 ± 0.0003 Å
• c: 21.8996 ± 0.0019 Å
• α: 90 ± 0.006°
• β: 90 ± 0.006°
• γ: 120 ± 0.007°
• Cell volume: 328.62 ± 0.05 ų
• Cell temperature: 301.2 ± 0.4 K
• Ambient diffraction temperature: 301.2 K
• Number of distinct elements: 3
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0096
• Residual factor for significantly intense reflections: 0.0096
• Weighted residual factors for significantly intense reflections: 0.0098
• Weighted residual factors for all reflections included in the refinement: 0.0098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.6
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes