Information card for entry 2012692

Structure parameters

• Chemical name: Rubidium diniobium tris(disulfide) tetrathiophosphate
• Formula: Nb2 P Rb S10
• Calculated formula: Nb2 P Rb S10
• SMILES: [Nb]123[S]4[Nb]567([S]3[S]62)([S]14)([S]1[S]52)SP(=S)([S]73)S[Nb]123456[S]7[Nb]89%10([S]4[S]85)([S]67)(SS9)SP(=S)(S%10)[S-].[Rb+].[Rb+]
• Title of publication: A new quaternary thiophosphate, RbNb~2~(S~2~)~3~(PS~4~)
• Authors of publication: Changkeun Kim; Hoseop Yun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: i53 - i54
• a: 12.773 ± 0.003 Å
• b: 7.529 ± 0.002 Å
• c: 7.108 ± 0.002 Å
• α: 90°
• β: 104.37 ± 0.02°
• γ: 90°
• Cell volume: 662.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes