Information card for entry 1562112

Structure parameters

• Formula: Ba2 O Te
• Calculated formula: Ba2 O Te
• SMILES: [O-2].[Ba+2].[Te-2].[Ba+2]
• Title of publication: Ba2TeO: A new layered oxytelluride
• Authors of publication: Besara, T.; Ramirez, D.; Sun, J.; Whalen, J.B.; Tokumoto, T.D.; McGill, S.A.; Singh, D.J.; Siegrist, T.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 222
• Pages of publication: 60 - 65
• a: 5.03371 ± 0.00011 Å
• b: 5.03371 ± 0.00011 Å
• c: 9.9437 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 251.956 ± 0.013 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No