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Title: Materials Data on BaTi2As2O by Materials Project

Abstract

BaTi2As2O crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ba–As bond lengths are 3.44 Å. Ti3+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Ti–As bond lengths are 2.71 Å. Both Ti–O bond lengths are 2.03 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Ti3+ atoms. O2- is bonded in a square co-planar geometry to four equivalent Ti3+ atoms.

Publication Date:
Other Number(s):
mp-1018735
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; BaTi2As2O; As-Ba-O-Ti
OSTI Identifier:
1350462
DOI:
10.17188/1350462

Citation Formats

The Materials Project. Materials Data on BaTi2As2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350462.
The Materials Project. Materials Data on BaTi2As2O by Materials Project. United States. doi:10.17188/1350462.
The Materials Project. 2020. "Materials Data on BaTi2As2O by Materials Project". United States. doi:10.17188/1350462. https://www.osti.gov/servlets/purl/1350462. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1350462,
title = {Materials Data on BaTi2As2O by Materials Project},
author = {The Materials Project},
abstractNote = {BaTi2As2O crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ba–As bond lengths are 3.44 Å. Ti3+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Ti–As bond lengths are 2.71 Å. Both Ti–O bond lengths are 2.03 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Ti3+ atoms. O2- is bonded in a square co-planar geometry to four equivalent Ti3+ atoms.},
doi = {10.17188/1350462},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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