Materials Data on Pr5Sn4 by Materials Project
Pr5Sn4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.16–3.39 Å. In the second Pr site, Pr is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.30–3.86 Å. In the third Pr site, Pr is bonded to six Sn atoms to form corner-sharing PrSn6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Pr–Sn bond distances ranging from 3.23–3.44 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to eight Pr and one Sn atom. The Sn–Sn bond length is 3.06 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to eight Pr atoms. In the third Sn site, Sn is bonded in a 9-coordinate geometry to eight Pr 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:
- 1728067
- Report Number(s):
- mp-1196361
- Country of Publication:
- United States
- Language:
- English
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