Information card for entry 4001653

Structure parameters

• Formula: Ba2 Cl7 Er
• Calculated formula: Ba2 Cl7 Er
• Title of publication: Synthesis and Crystal Structure of the New Ternary Halide Series Ba2MCl7(M = Gd−Yb, Y) Containing the Highly Efficient Up-Conversion Material Ba2ErCl7
• Authors of publication: Wickleder, M. S.; Egger, P.; Riedener, T.; Furer, N.; Güdel, H. U.; Hulliger, J.
• Journal of publication: Chemistry of Materials
• Year of publication: 1996
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 2828
• a: 6.794 ± 0.002 Å
• b: 15.525 ± 0.002 Å
• c: 10.496 ± 0.002 Å
• α: 90°
• β: 90.54 ± 0.02°
• γ: 90°
• Cell volume: 1107 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for all reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.0681
• Goodness-of-fit parameter for all reflections: 1.175
• Goodness-of-fit parameter for significantly intense reflections: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No