Materials Data on BiI3 by Materials Project
BiI3 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two BiI3 ribbons oriented in the (1, 0, 0) direction. Bi3+ is bonded to six I1- atoms to form distorted face-sharing BiI6 pentagonal pyramids. There are a spread of Bi–I bond distances ranging from 3.05–3.28 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted L-shaped geometry to two equivalent Bi3+ atoms. In the second I1- site, I1- is bonded in an L-shaped geometry to two equivalent Bi3+ 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:
- 1744793
- Report Number(s):
- mp-1079786
- Country of Publication:
- United States
- Language:
- English
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