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Title: Materials Data on BaMoO2 by Materials Project

Abstract

BaMoO2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form edge-sharing BaO6 octahedra. There are four shorter (2.69 Å) and two longer (2.80 Å) Ba–O bond lengths. Mo2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.25 Å) and two longer (2.26 Å) Mo–O bond lengths. O2- is bonded to three equivalent Ba2+ and two equivalent Mo2+ atoms to form a mixture of distorted edge and corner-sharing OBa3Mo2 square pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1214454
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BaMoO2; Ba-Mo-O
OSTI Identifier:
1718478
DOI:
https://doi.org/10.17188/1718478

Citation Formats

The Materials Project. Materials Data on BaMoO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1718478.
The Materials Project. Materials Data on BaMoO2 by Materials Project. United States. doi:https://doi.org/10.17188/1718478
The Materials Project. 2020. "Materials Data on BaMoO2 by Materials Project". United States. doi:https://doi.org/10.17188/1718478. https://www.osti.gov/servlets/purl/1718478. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1718478,
title = {Materials Data on BaMoO2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaMoO2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form edge-sharing BaO6 octahedra. There are four shorter (2.69 Å) and two longer (2.80 Å) Ba–O bond lengths. Mo2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.25 Å) and two longer (2.26 Å) Mo–O bond lengths. O2- is bonded to three equivalent Ba2+ and two equivalent Mo2+ atoms to form a mixture of distorted edge and corner-sharing OBa3Mo2 square pyramids.},
doi = {10.17188/1718478},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}