Materials Data on La5Sn3I by Materials Project
La5Sn3I crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Sn and two equivalent I atoms. There are a spread of La–Sn bond distances ranging from 3.30–3.73 Å. Both La–I bond lengths are 3.25 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All La–Sn bond lengths are 3.52 Å. Sn is bonded in a 9-coordinate geometry to nine La atoms. I is bonded to six equivalent La atoms to form face-sharing ILa6 octahedra.
- 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:
- 1204624
- Report Number(s):
- mp-30211
- Country of Publication:
- United States
- Language:
- English
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