Information card for entry 4003888

Structure parameters

• Common name: Barium Iron Aluminum
• Formula: Al9 Ba Fe2
• Calculated formula: Al9 Ba Fe1.968
• Title of publication: A Catastrophic Charge Density Wave in BaFe2Al9
• Authors of publication: Meier, William R.; Chakoumakos, Bryan C.; Okamoto, Satoshi; McGuire, Michael A.; Hermann, Raphaël P.; Samolyuk, German D.; Gao, Shang; Zhang, Qiang; Stone, Matthew B.; Christianson, Andrew D.; Sales, Brian C.
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 8.018667 ± 0.000016 Å
• b: 8.018667 ± 0.000016 Å
• c: 3.934816 ± 0.000014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 219.109 ± 0.001 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 3
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.0119
• Residual factor for significantly intense reflections: 0.0115
• Weighted residual factors for all reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0158
• Goodness-of-fit parameter for all reflections: 2.8013
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation type: Neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No