Information card for entry 1561848

Structure parameters

• Common name: neodymium copper gallium selenide (3/1/1/7)
• Chemical name: neodymium copper gallium selenide (3/1/1/7)
• Formula: Cu Ga Nd3 Se7
• Calculated formula: Cu Ga Nd3 Se7
• Title of publication: Noncentrosymmetric rare-earth copper gallium chalcogenides RE3CuGaCh7 (RE=La‒Nd; Ch=S, Se): An unexpected combination
• Authors of publication: Iyer, Abishek K.; Rudyk, Brent W.; Lin, Xinsong; Singh, Harpreet; Sharma, Arzoo Z.; Wiebe, Christopher R.; Mar, Arthur
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 229
• Pages of publication: 150 - 159
• a: 10.3426 ± 0.0009 Å
• b: 10.3426 ± 0.0009 Å
• c: 6.3869 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 591.67 ± 0.09 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: 0.0358
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No