Materials Data on Re2W3C by Materials Project
W3Re2C crystallizes in the cubic P4_132 space group. The structure is three-dimensional. W is bonded in a 2-coordinate geometry to six equivalent Re and two equivalent C atoms. There are a spread of W–Re bond distances ranging from 2.86–2.97 Å. Both W–C bond lengths are 2.17 Å. Re is bonded to nine equivalent W and three equivalent Re atoms to form ReRe3W9 cuboctahedra that share corners with fifteen equivalent ReRe3W9 cuboctahedra, edges with three equivalent CW6 octahedra, faces with ten equivalent ReRe3W9 cuboctahedra, and faces with four equivalent CW6 octahedra. All Re–Re bond lengths are 2.58 Å. C is bonded to six equivalent W atoms to form distorted CW6 octahedra that share corners with six equivalent CW6 octahedra, edges with six equivalent ReRe3W9 cuboctahedra, and faces with eight equivalent ReRe3W9 cuboctahedra. The corner-sharing octahedral tilt angles are 23°.
- 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:
- 1192218
- Report Number(s):
- mp-16877
- Country of Publication:
- United States
- Language:
- English
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