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Title: Materials Data on BaClO3 by Materials Project

Abstract

BaO3Cl crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of two BaO3Cl sheets oriented in the (0, 0, 1) direction. Ba is bonded in a 8-coordinate geometry to four equivalent O and four equivalent Cl atoms. All Ba–O bond lengths are 2.68 Å. All Ba–Cl bond lengths are 3.08 Å. There are two inequivalent O sites. In the first O site, O is bonded in a square co-planar geometry to four equivalent O atoms. All O–O bond lengths are 1.91 Å. In the second O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba and two equivalent O atoms. Cl is bonded in a 4-coordinate geometry to four equivalent Ba atoms.

Publication Date:
Other Number(s):
mp-1080782
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; BaClO3; Ba-Cl-O
OSTI Identifier:
1710631
DOI:
https://doi.org/10.17188/1710631

Citation Formats

The Materials Project. Materials Data on BaClO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710631.
The Materials Project. Materials Data on BaClO3 by Materials Project. United States. doi:https://doi.org/10.17188/1710631
The Materials Project. 2020. "Materials Data on BaClO3 by Materials Project". United States. doi:https://doi.org/10.17188/1710631. https://www.osti.gov/servlets/purl/1710631. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1710631,
title = {Materials Data on BaClO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaO3Cl crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of two BaO3Cl sheets oriented in the (0, 0, 1) direction. Ba is bonded in a 8-coordinate geometry to four equivalent O and four equivalent Cl atoms. All Ba–O bond lengths are 2.68 Å. All Ba–Cl bond lengths are 3.08 Å. There are two inequivalent O sites. In the first O site, O is bonded in a square co-planar geometry to four equivalent O atoms. All O–O bond lengths are 1.91 Å. In the second O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba and two equivalent O atoms. Cl is bonded in a 4-coordinate geometry to four equivalent Ba atoms.},
doi = {10.17188/1710631},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}