Information card for entry 1560470

Structure parameters

• Common name: neodymium nickel germanium sulfide (3/0.5/1/7)
• Chemical name: neodymium nickel germanium sulfide (3/0.5/1/7)
• Formula: Ge Nd3 Ni0.5 S7
• Calculated formula: Ge Nd3 Ni0.5 S7
• Title of publication: Quaternary rare-earth sulfides RE 3 M 0.5 GeS 7 (RE=La‒Nd, Sm; M=Co, Ni) and Y 3 Pd 0.5 SiS 7
• Authors of publication: Iyer, Abishek K.; Yin, Wenlong; Lee, Emma J.; Lin, Xinsong; Mar, Arthur
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 250
• Pages of publication: 14 - 23
• a: 10.076 ± 0.0003 Å
• b: 10.076 ± 0.0003 Å
• c: 5.7605 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 506.49 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0131
• Residual factor for significantly intense reflections: 0.0129
• Weighted residual factors for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections included in the refinement: 0.0299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No