Information card for entry 4304493

Structure parameters

• Formula: Ag23 Br Te12
• Calculated formula: Ag23.021 Br Te12
• Title of publication: Crystal Structures and Thermal and Electrical Properties of the New Silver (poly)Chalcogenide Halides Ag23Te12Cl and Ag23Te12Br
• Authors of publication: Stefan Lange; Melanie Bawohl; Tom Nilges
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2625 - 2633
• a: 21.055 ± 0.001 Å
• b: 21.055 ± 0.001 Å
• c: 7.7241 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3424.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for significantly intense reflections: 2.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.66
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No