Materials Data on Ce2Sn3 by Materials Project
Ce2Sn3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.23–3.74 Å. In the second Ce site, Ce is bonded in a 9-coordinate geometry to ten Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.22–3.77 Å. In the third Ce site, Ce is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.23–3.60 Å. In the fourth Ce site, Ce is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.12–3.60 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to seven Ce and three Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.08–3.28 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to seven Ce and two Sn atoms. The Sn–Sn bond length is 3.00 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to six Ce and two Sn atoms. There are one shorter (3.03 Å) and one longer (3.07 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 5-coordinate geometry to five Ce and two equivalent Sn atoms. There are one shorter (2.97 Å) and one longer (3.00 Å) Sn–Sn bond lengths. In the fifth Sn site, Sn is bonded in a 5-coordinate geometry to five Ce and two equivalent Sn atoms. In the sixth Sn site, Sn is bonded in a 5-coordinate geometry to six Ce and three Sn 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:
- 1717655
- Report Number(s):
- mp-1213936
- Country of Publication:
- United States
- Language:
- English
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