Information card for entry 3000311

Structure parameters

• Common name: neodymium calcium oxoborate
• Formula: B3 Ca4 Nd O10
• Calculated formula: B3 Ca4.0008 Nd0.9992 O10
• Title of publication: Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)
• Authors of publication: Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut
• Journal of publication: Journal of Applied Physics
• Year of publication: 2021
• Journal volume: 130
• Journal issue: 9
• Pages of publication: 095102
• a: 8.11934 ± 0.00017 Å
• b: 16.043 ± 0.0004 Å
• c: 3.59765 ± 0.00011 Å
• α: 90°
• β: 101.378 ± 0.002°
• γ: 90°
• Cell volume: 459.41 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No