Information card for entry 4343169

Structure parameters

• Formula: Bi S0.91 Se1.09
• Calculated formula: Bi S0.912 Se1.088
• Title of publication: Coexistence of Monochalocogen and Dichalocogen Ions in BiSe2 and BiS2 Crystals Prepared at High Pressure.
• Authors of publication: Yamamoto, Ayako; Hashizume, Daisuke; Bahramy, Mohammad Saeed; Tokura, Yoshinori
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 4114 - 4119
• a: 16.367 ± 0.0012 Å
• b: 4.104 ± 0.0004 Å
• c: 11.6772 ± 0.0013 Å
• α: 90°
• β: 127.401 ± 0.004°
• γ: 90°
• Cell volume: 623.1 ± 0.11 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No