Information card for entry 4113867

Structure parameters

• Formula: Ba Mo2 O9 Te
• Calculated formula: Ba Mo2 O9 Te
• Title of publication: Combining Second-Order Jahn-Teller Distorted Cations to Create Highly Efficient SHG Materials: Synthesis, Characterization, and NLO Properties of BaTeM2O9 (M = Mo6+ or W6+)
• Authors of publication: Hyun-Seup Ra; Kang Min Ok; P. Shiv Halasyamani
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 7764 - 7765
• a: 5.5407 ± 0.0005 Å
• b: 7.4651 ± 0.0007 Å
• c: 8.8448 ± 0.0009 Å
• α: 90°
• β: 90.841 ± 0.002°
• γ: 90°
• Cell volume: 365.8 ± 0.06 ų
• Cell temperature: 293 ± 0.2 K
• Ambient diffraction temperature: 293 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No