Materials Data on CeSn3Ru by Materials Project
CeRuSn3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to four equivalent Ru and twelve equivalent Sn atoms. All Ce–Ru bond lengths are 3.48 Å. There are eight shorter (3.41 Å) and four longer (3.45 Å) Ce–Sn bond lengths. In the second Ce site, Ce is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms. All Ce–Sn bond lengths are 3.48 Å. Ru is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent Sn atoms. All Ru–Sn bond lengths are 2.71 Å. Sn is bonded in a 2-coordinate geometry to four Ce, two equivalent Ru, and three equivalent Sn atoms. There are one shorter (3.06 Å) and two longer (3.14 Å) Sn–Sn bond lengths.
- 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:
- 1687042
- Report Number(s):
- mp-1198476
- Country of Publication:
- United States
- Language:
- English
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