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Title: Materials Data on BaClO by Materials Project

Abstract

BaOCl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to three equivalent O and five equivalent Cl atoms. There are one shorter (2.59 Å) and two longer (2.72 Å) Ba–O bond lengths. There are a spread of Ba–Cl bond distances ranging from 3.22–3.27 Å. O is bonded in a distorted trigonal planar geometry to three equivalent Ba atoms. Cl is bonded to five equivalent Ba atoms to form a mixture of distorted corner and edge-sharing ClBa5 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-1214435
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; BaClO; Ba-Cl-O
OSTI Identifier:
1724747
DOI:
https://doi.org/10.17188/1724747

Citation Formats

The Materials Project. Materials Data on BaClO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1724747.
The Materials Project. Materials Data on BaClO by Materials Project. United States. doi:https://doi.org/10.17188/1724747
The Materials Project. 2020. "Materials Data on BaClO by Materials Project". United States. doi:https://doi.org/10.17188/1724747. https://www.osti.gov/servlets/purl/1724747. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1724747,
title = {Materials Data on BaClO by Materials Project},
author = {The Materials Project},
abstractNote = {BaOCl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to three equivalent O and five equivalent Cl atoms. There are one shorter (2.59 Å) and two longer (2.72 Å) Ba–O bond lengths. There are a spread of Ba–Cl bond distances ranging from 3.22–3.27 Å. O is bonded in a distorted trigonal planar geometry to three equivalent Ba atoms. Cl is bonded to five equivalent Ba atoms to form a mixture of distorted corner and edge-sharing ClBa5 trigonal bipyramids.},
doi = {10.17188/1724747},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}