Information card for entry 7720609

Structure parameters

• Formula: Nd P2 Rb Se6
• Calculated formula: Nd P2 Rb Se6
• Title of publication: Centrosymmetric to Noncentrosymmetric Structure Transition of the RbREP 2 Se 6 (RE = La -Nd, Sm, Ho -Yb) Series: Crystal Growth, Magnetic and Optical Properties
• Authors of publication: Kashem, Habiba B.; Muhit, Md Abdullah Al; Smith, Hope E.; Gabilondo, Eric; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 6.8411 ± 0.0001 Å
• b: 7.5436 ± 0.0001 Å
• c: 21.8006 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1125.05 ± 0.03 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections included in the refinement: 0.0322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No