Information card for entry 2017446

Structure parameters

• Chemical name: chromium thallium pentadecamolybdenum nonadecaselenide
• Formula: Cr1.453 Mo15 Se19 Tl1.87
• Calculated formula: Cr1.453 Mo15 Se19 Tl1.87
• Title of publication: Cr~1.45~Tl~1.87~Mo~15~Se~19~, a monoclinic variant of the hexagonal In~3~Mo~15~Se~19~ type
• Authors of publication: Gougeon, P.; Salloum, D.; Potel, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: i87 - i90
• a: 9.7347 ± 0.0001 Å
• b: 19.2639 ± 0.0003 Å
• c: 9.7987 ± 0.0001 Å
• α: 90°
• β: 118.93 ± 0.0008°
• γ: 90°
• Cell volume: 1608.22 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.49
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes