Materials Data on Th5Sn4 by Materials Project
Th5Sn4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Th–Sn bond distances ranging from 3.16–3.29 Å. In the second Th site, Th is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Th–Sn bond distances ranging from 3.25–3.83 Å. In the third Th site, Th is bonded to six Sn atoms to form distorted corner-sharing ThSn6 octahedra. The corner-sharing octahedra tilt angles range from 49–55°. There are a spread of Th–Sn bond distances ranging from 3.21–3.46 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to eight Th and one Sn atom. The Sn–Sn bond length is 3.01 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to eight Th atoms. In the third Sn site, Sn is bonded in a 9-coordinate geometry to eight Th and one Sn atom.
- 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:
- 1726708
- Report Number(s):
- mp-1204528
- Country of Publication:
- United States
- Language:
- English
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