Information card for entry 1562735

Structure parameters

• Formula: Ba2 In Sb Te5
• Calculated formula: Ba2 In Sb Te5
• SMILES: [In]1([Te])[Te][Sb]2([Te])([Te])[Te]([In]([Te]1)([Te])[Te])[Sb]([Te]2)[Te].[Ba+2].[Ba+2].[Ba+2].[Ba+2]
• Title of publication: Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe5
• Authors of publication: Hao, Wenyu; Mei, Dajiang; Yin, Wenlong; Feng, Kai; Yao, Jiyong; Wu, Yicheng
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2013
• Journal volume: 198
• Pages of publication: 81 - 86
• a: 13.782 ± 0.003 Å
• b: 4.5732 ± 0.0009 Å
• c: 20.184 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1272.2 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No