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Title: Materials Data on BaBiClO2 by Materials Project

Abstract

BaBiO2Cl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Ba–O bond lengths are 2.69 Å. There are two shorter (3.36 Å) and two longer (3.51 Å) Ba–Cl bond lengths. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.22 Å. O2- is bonded to two equivalent Ba2+ and two equivalent Bi3+ atoms to form OBa2Bi2 tetrahedra that share corners with four equivalent OBa2Bi2 tetrahedra, corners with eight equivalent ClBa4 tetrahedra, and edges with four equivalent OBa2Bi2 tetrahedra. Cl1- is bonded to four equivalent Ba2+ atoms to form ClBa4 tetrahedra that share corners with four equivalent ClBa4 tetrahedra, corners with sixteen equivalent OBa2Bi2 tetrahedra, and edges with four equivalent ClBa4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-552806
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; BaBiClO2; Ba-Bi-Cl-O
OSTI Identifier:
1267585
DOI:
10.17188/1267585

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BaBiClO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267585.
Persson, Kristin, & Project, Materials. Materials Data on BaBiClO2 by Materials Project. United States. doi:10.17188/1267585.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BaBiClO2 by Materials Project". United States. doi:10.17188/1267585. https://www.osti.gov/servlets/purl/1267585. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1267585,
title = {Materials Data on BaBiClO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BaBiO2Cl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Ba–O bond lengths are 2.69 Å. There are two shorter (3.36 Å) and two longer (3.51 Å) Ba–Cl bond lengths. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.22 Å. O2- is bonded to two equivalent Ba2+ and two equivalent Bi3+ atoms to form OBa2Bi2 tetrahedra that share corners with four equivalent OBa2Bi2 tetrahedra, corners with eight equivalent ClBa4 tetrahedra, and edges with four equivalent OBa2Bi2 tetrahedra. Cl1- is bonded to four equivalent Ba2+ atoms to form ClBa4 tetrahedra that share corners with four equivalent ClBa4 tetrahedra, corners with sixteen equivalent OBa2Bi2 tetrahedra, and edges with four equivalent ClBa4 tetrahedra.},
doi = {10.17188/1267585},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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