Information card for entry 7039851

Structure parameters

• Common name: barium praseodymium indium sulfide (1/2/2/7)
• Chemical name: barium praseodymium indium sulfide (1/2/2/7)
• Formula: Ba In2 Pr2 S7
• Calculated formula: Ba In2 Pr2 S7
• Title of publication: Quaternary chalcogenides BaRE2In2Ch7 (RE = La-Nd; Ch = S, Se) containing InCh5 trigonal bipyramids.
• Authors of publication: Yin, Wenlong; Iyer, Abishek K.; Lin, Xinsong; Li, Chao; Yao, Jiyong; Mar, Arthur
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 31
• Pages of publication: 12329 - 12337
• a: 11.592 ± 0.0006 Å
• b: 12.3232 ± 0.0007 Å
• c: 4.021 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 574.4 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No