Materials Data on Pa3Tc by Materials Project
Pa3Tc is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to four equivalent Pa and four equivalent Tc atoms to form a mixture of distorted face, edge, and corner-sharing PaPa4Tc4 tetrahedra. All Pa–Pa bond lengths are 3.06 Å. All Pa–Tc bond lengths are 3.06 Å. In the second Pa site, Pa is bonded in a 8-coordinate geometry to eight equivalent Pa and six equivalent Tc atoms. All Pa–Tc bond lengths are 3.53 Å. Tc is bonded in a distorted body-centered cubic geometry to fourteen Pa 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:
- 1314295
- Report Number(s):
- mp-973853
- Country of Publication:
- United States
- Language:
- English
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