Information card for entry 2100629

Structure parameters

• Formula: Ag14.691 Cu1.309 S8.369 Sb2 Se2.631
• Calculated formula: Ag14.691 Cu1.309 S8.37 Sb2 Se2.63
• Title of publication: Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2]
• Authors of publication: M. Evain; L. Bindi; S. Menchetti
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: 768 - 774
• a: 13.1426 ± 0.0014 Å
• b: 7.5879 ± 0.0007 Å
• c: 23.729 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2366.4 ± 0.5 ų
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.8
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No