Information card for entry 7041835

Structure parameters

• Formula: Cd Ge2 Na2 S6
• Calculated formula: Cd Ge2 Na2 S6
• Title of publication: Na2CdGe2Q6 (Q = S, Se): two metal-mixed chalcogenides with phase-matching abilities and large second-harmonic generation responses.
• Authors of publication: Li, Guang-Mao; Liu, Qiong; Wu, Kui; Yang, Zhi-Hua; Pan, Shi-Lie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 2778 - 2784
• a: 7.312 ± 0.003 Å
• b: 12.672 ± 0.005 Å
• c: 11.528 ± 0.004 Å
• α: 90°
• β: 98.869 ± 0.005°
• γ: 90°
• Cell volume: 1055.4 ± 0.7 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: 0.0266
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No