Information card for entry 1562265

Structure parameters

• Formula: Bi1.98 F0.36 La2.02 O1.64 Se4
• Calculated formula: Bi1.984 F0.36 La2.02 O1.64 Se4
• Title of publication: First single crystal growth and structural analysis of superconducting layered bismuth oxyselenide; La(O,F)BiSe2
• Authors of publication: Tanaka, Masashi; Nagao, Masanori; Matsushita, Yoshitaka; Fujioka, Masaya; Denholme, Saleem J.; Yamaguchi, Takahide; Takeya, Hiroyuki; Takano, Yoshihiko
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2014
• Journal volume: 219
• Pages of publication: 168 - 172
• a: 4.1408 ± 0.0002 Å
• b: 4.1408 ± 0.0002 Å
• c: 14.1096 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 241.926 ± 0.019 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• 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: 0.0244
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No