Information card for entry 7700637

Structure parameters

• Formula: In O Pr S2
• Calculated formula: In O Pr S2
• Title of publication: An electronic structure governed by the displacement of the indium site in In-S₆ octahedra: LnOInS₂ (Ln = La, Ce, and Pr).
• Authors of publication: Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 32
• Pages of publication: 12272 - 12278
• a: 4.00067 ± 0.00003 Å
• b: 4.00209 ± 0.00003 Å
• c: 12.75783 ± 0.00003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 204.266 ± 0.002 ų
• Cell temperature: 450 K
• Ambient diffraction temperature: 450 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: 0.1151
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.0621
• Goodness-of-fit parameter for all reflections: 6.56
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.49527 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No