Materials Data on Bi3ClO4 by Materials Project
Abstract
Bi3O4Cl crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 3-coordinate geometry to three O2- and two equivalent Cl1- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.16 Å. There are one shorter (3.30 Å) and one longer (3.32 Å) Bi–Cl bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.92 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Bi3+ atoms. Cl1- is bonded in a 4-coordinate geometry to four equivalent Bi3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-29558
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Bi3ClO4; Bi-Cl-O
- OSTI Identifier:
- 1204013
- DOI:
- https://doi.org/10.17188/1204013
Citation Formats
The Materials Project. Materials Data on Bi3ClO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204013.
The Materials Project. Materials Data on Bi3ClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1204013
The Materials Project. 2020.
"Materials Data on Bi3ClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1204013. https://www.osti.gov/servlets/purl/1204013. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1204013,
title = {Materials Data on Bi3ClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi3O4Cl crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 3-coordinate geometry to three O2- and two equivalent Cl1- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.16 Å. There are one shorter (3.30 Å) and one longer (3.32 Å) Bi–Cl bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.92 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Bi3+ atoms. Cl1- is bonded in a 4-coordinate geometry to four equivalent Bi3+ atoms.},
doi = {10.17188/1204013},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}