Information card for entry 7708895

Structure parameters

• Common name: Cu4MnGe2S7
• Chemical name: tetracopper manganese digermanium heptasulfide
• Formula: Cu4 Ge2 Mn S7
• Calculated formula: Cu4 Ge2 Mn S7
• Title of publication: Cu4MnGe2S7 and Cu2MnGeS4: two polar thiogermanates exhibiting second harmonic generation in the infrared and structures derived from hexagonal diamond
• Authors of publication: Glenn, Jennifer R.; Cho, Jeong Bin; Wang, Yiqun; Craig, Andrew J.; Zhang, Jian-Han; Cribbs, Marvene; Stoyko, Stanislav S.; Rosello, Kate E.; Barton, Christopher; Bonnoni, Allyson; Grima-Gallardo, Pedro; MacNeil, Joseph H.; Rondinelli, James M.; Jang, Joon I.; Aitken, Jennifer A.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 16.7332 ± 0.0003 Å
• b: 6.476 ± 0.0001 Å
• c: 9.8022 ± 0.0002 Å
• α: 90°
• β: 93.1517 ± 0.0009°
• γ: 90°
• Cell volume: 1060.6 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No