Materials Data on CeSmI4 by Materials Project
SmCeI4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Sm–I bond distances ranging from 3.22–3.41 Å. Ce is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Ce–I bond distances ranging from 3.23–3.53 Å. There are four inequivalent I sites. In the first I site, I is bonded to two equivalent Sm and two equivalent Ce atoms to form a mixture of distorted corner, edge, and face-sharing ICe2Sm2 tetrahedra. In the second I site, I is bonded to two equivalent Sm and two equivalent Ce atoms to form a mixture of distorted corner, edge, and face-sharing ICe2Sm2 tetrahedra. In the third I site, I is bonded to two equivalent Sm and two equivalent Ce atoms to form a mixture of distorted corner, edge, and face-sharing ICe2Sm2 trigonal pyramids. In the fourth I site, I is bonded to two equivalent Sm and two equivalent Ce atoms to form a mixture of distorted corner, edge, and face-sharing ICe2Sm2 trigonal pyramids.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1275724
- Report Number(s):
- mp-570470
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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