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Title: Materials Data on BiCl3 by Materials Project

Abstract

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.

Publication Date:
Other Number(s):
mp-22908
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BiCl3; Bi-Cl
OSTI Identifier:
1199074
DOI:
10.17188/1199074

Citation Formats

The Materials Project. Materials Data on BiCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199074.
The Materials Project. Materials Data on BiCl3 by Materials Project. United States. doi:10.17188/1199074.
The Materials Project. 2020. "Materials Data on BiCl3 by Materials Project". United States. doi:10.17188/1199074. https://www.osti.gov/servlets/purl/1199074. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199074,
title = {Materials Data on BiCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1199074},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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