Information card for entry 2021787

Structure parameters

• Chemical name: Barium yttrium fluoridozirconate
• Formula: Ba4 F23 Y Zr3
• Calculated formula: Ba4 F23 Y Zr3
• Title of publication: Ba~4~YZr~3~F~23~ and Ba~4~LnZr~3~F~23~: a new noncentrosymmetric potential host structure type for optical devices
• Authors of publication: Laval, Jean-Paul; Taoudi, Abdelkrim
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• a: 19.564 ± 0.008 Å
• b: 5.397 ± 0.002 Å
• c: 17.161 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1812 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes