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Title: Materials Data on BaO6 by Materials Project

Abstract

BaO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Ba–O bond distances ranging from 2.71–2.97 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Ba and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba and one O atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Ba and one O atom. The O–O bond length is 1.35 Å.

Publication Date:
Other Number(s):
mp-1182164
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; BaO6; Ba-O
OSTI Identifier:
1744901
DOI:
https://doi.org/10.17188/1744901

Citation Formats

The Materials Project. Materials Data on BaO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744901.
The Materials Project. Materials Data on BaO6 by Materials Project. United States. doi:https://doi.org/10.17188/1744901
The Materials Project. 2020. "Materials Data on BaO6 by Materials Project". United States. doi:https://doi.org/10.17188/1744901. https://www.osti.gov/servlets/purl/1744901. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1744901,
title = {Materials Data on BaO6 by Materials Project},
author = {The Materials Project},
abstractNote = {BaO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Ba–O bond distances ranging from 2.71–2.97 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Ba and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba and one O atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Ba and one O atom. The O–O bond length is 1.35 Å.},
doi = {10.17188/1744901},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}