Information card for entry 1101152

Structure parameters

• Common name: Calcium tetraboride
• Chemical name: Calcium tetraboride
• Formula: B4 Ca
• Calculated formula: B3.99 Ca
• Title of publication: Calcium Tetraboride ‒ Does It Exist? Synthesis and Properties of a Carbon-Doped Calcium Tetraboride That Is Isotypic with the Known Rare Earth Tetraborides
• Authors of publication: Schmitt, Ruth; Blaschkowski, Björn; Eichele, Klaus; Meyer, H.-Jürgen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 3067 - 3073
• a: 7.0989 ± 0.0007 Å
• b: 7.0989 ± 0.0007 Å
• c: 4.1353 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 208.4 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 127
• Hermann-Mauguin space group symbol: P 4/m b m
• Hall space group symbol: -P 4 2ab
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No