Materials Data on AlFe3 by Materials Project
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下载链接：
https://www.osti.gov/servlets/purl/1195319/
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资源简介：
Fe3Al is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to eight equivalent Fe and six equivalent Al atoms. All Fe–Fe bond lengths are 2.49 Å. All Fe–Al bond lengths are 2.87 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Al atoms. All Fe–Al bond lengths are 2.49 Å. Al is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2015-07-21
