Materials Data on BiCl3 by Materials Project
BiCl3 is Cementite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Bi3+ is bonded to six Cl1- atoms to form a mixture of distorted corner and edge-sharing BiCl6 pentagonal pyramids. There are a spread of Bi–Cl bond distances ranging from 2.49–3.35 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Bi3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent Bi3+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent Bi3+ atoms.
- 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:
- 1199074
- Report Number(s):
- mp-22908
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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