Information card for entry 4004012

Structure parameters

• Formula: Ba3 Ge3 O14 Te Zn2
• Calculated formula: Ba3 Ge2.9999 O14 Te Zn2.0001
• Title of publication: A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution
• Authors of publication: Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 8.616 ± 0.003 Å
• b: 8.616 ± 0.003 Å
• c: 5.198 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 334.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 150
• Hermann-Mauguin space group symbol: P 3 2 1
• Hall space group symbol: P 3 2"
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No