Materials Data on MgRe3 by Materials Project
MgRe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to fourteen Re atoms. There are eight shorter (2.70 Å) and six longer (3.11 Å) Mg–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Mg and four equivalent Re atoms to form a mixture of distorted edge, face, and corner-sharing ReMg4Re4 tetrahedra. All Re–Re bond lengths are 2.70 Å. In the second Re site, Re is bonded in a 8-coordinate geometry to six equivalent Mg and eight equivalent Re atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1315550
- Report Number(s):
- mp-977283
- Country of Publication:
- United States
- Language:
- English
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