Information card for entry 7024287

Structure parameters

• Formula: As3 Ba2 Cd2
• Calculated formula: As3 Ba2 Cd2
• Title of publication: Synthesis, crystallographic and theoretical studies of the new Zintl phases Ba2Cd2Pn3 (Pn = As, Sb), and the solid solutions (Ba(1-x)Sr(x))2Cd2Sb3 and Ba2Cd2(Sb(1-x)As(x))3.
• Authors of publication: Saparov, Bayrammurad; He, Hua; Zhang, Xiaohang; Greene, Richard; Bobev, Svilen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 4
• Pages of publication: 1063 - 1070
• a: 17.1877 ± 0.0017 Å
• b: 4.5472 ± 0.0004 Å
• c: 12.7253 ± 0.0012 Å
• α: 90°
• β: 126.639 ± 0.001°
• γ: 90°
• Cell volume: 798.04 ± 0.13 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.017
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections included in the refinement: 0.0357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No