Information card for entry 4127883

Structure parameters

• Formula: Ba F Mn0.5 Te
• Calculated formula: Ba F Mn0.5 Te
• Title of publication: Antiferromagnetic Semiconductor BaFMn_0.5Te with Unique Mn Ordering and Red Photoluminescence.
• Authors of publication: Chen, Haijie; McClain, Rebecca; He, Jiangang; Zhang, Chi; Olding, Jack N.; Dos Reis, Roberto; Bao, Jin-Ke; Hadar, Ido; Spanopoulos, Ioannis; Malliakas, Christos D.; He, Yihui; Chung, Duck Young; Kwok, Wai-Kwong; Weiss, Emily A.; Dravid, Vinayak P.; Wolverton, Christopher; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 43
• Pages of publication: 17421 - 17430
• a: 6.3205 ± 0.0012 Å
• b: 6.3233 ± 0.001 Å
• c: 9.6379 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 385.19 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 67
• Hermann-Mauguin space group symbol: C m m a
• Hall space group symbol: -C 2a 2
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for significantly intense reflections: 5.36
• Goodness-of-fit parameter for all reflections included in the refinement: 4.67
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No