Materials Data on Ca3Os by Materials Project
Ca3Os is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to four equivalent Ca and four equivalent Os atoms to form a mixture of distorted corner, edge, and face-sharing CaCa4Os4 tetrahedra. All Ca–Ca bond lengths are 3.19 Å. All Ca–Os bond lengths are 3.19 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to eight equivalent Ca and six equivalent Os atoms. All Ca–Os bond lengths are 3.69 Å. Os is bonded in a distorted body-centered cubic geometry to fourteen Ca 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:
- 1745311
- Report Number(s):
- mp-1183510
- Country of Publication:
- United States
- Language:
- English
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