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Title: Materials Data on Ba2TeO by Materials Project

Abstract

Ba2TeO crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a distorted single-bond geometry to five equivalent Te2- and one O2- atom. There are four shorter (3.64 Å) and one longer (3.74 Å) Ba–Te bond lengths. The Ba–O bond length is 2.48 Å. In the second Ba2+ site, Ba2+ is bonded to four equivalent O2- atoms to form a mixture of distorted corner and edge-sharing BaO4 trigonal pyramids. All Ba–O bond lengths are 2.71 Å. Te2- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms. O2- is bonded in a 5-coordinate geometry to five Ba2+ atoms.

Publication Date:
Other Number(s):
mp-1078191
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; Ba2TeO; Ba-O-Te
OSTI Identifier:
1752759
DOI:
https://doi.org/10.17188/1752759

Citation Formats

The Materials Project. Materials Data on Ba2TeO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752759.
The Materials Project. Materials Data on Ba2TeO by Materials Project. United States. doi:https://doi.org/10.17188/1752759
The Materials Project. 2020. "Materials Data on Ba2TeO by Materials Project". United States. doi:https://doi.org/10.17188/1752759. https://www.osti.gov/servlets/purl/1752759. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1752759,
title = {Materials Data on Ba2TeO by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2TeO crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a distorted single-bond geometry to five equivalent Te2- and one O2- atom. There are four shorter (3.64 Å) and one longer (3.74 Å) Ba–Te bond lengths. The Ba–O bond length is 2.48 Å. In the second Ba2+ site, Ba2+ is bonded to four equivalent O2- atoms to form a mixture of distorted corner and edge-sharing BaO4 trigonal pyramids. All Ba–O bond lengths are 2.71 Å. Te2- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms. O2- is bonded in a 5-coordinate geometry to five Ba2+ atoms.},
doi = {10.17188/1752759},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}