Information card for entry 4127114

Structure parameters

• Formula: Cr2 Cs Nd O8
• Calculated formula: Cr2 Cs Nd O8
• Title of publication: Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.
• Authors of publication: Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 9.244 ± 0.002 Å
• b: 5.5676 ± 0.0014 Å
• c: 7.795 ± 0.002 Å
• α: 90°
• β: 98.785 ± 0.006°
• γ: 90°
• Cell volume: 396.48 ± 0.17 ų
• Cell temperature: 204 ± 2 K
• Ambient diffraction temperature: 204 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.742
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No