Materials Data on BaRe3 by Materials Project
BaRe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to fourteen Re atoms. There are eight shorter (2.89 Å) and six longer (3.33 Å) Ba–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Ba and four equivalent Re atoms to form a mixture of distorted edge, corner, and face-sharing ReBa4Re4 tetrahedra. All Re–Re bond lengths are 2.89 Å. In the second Re site, Re is bonded in a 8-coordinate geometry to six equivalent Ba and eight equivalent Re atoms.
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