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Title: Materials Data on Ba2CrMoO6 by Materials Project

Abstract

Ba2CrMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent MoO6 octahedra, and faces with four equivalent CrO6 octahedra. All Ba–O bond lengths are 2.88 Å. Mo6+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 2.02 Å. Cr2+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 2.05 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Mo6+, and one Cr2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1079901
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; Ba2CrMoO6; Ba-Cr-Mo-O
OSTI Identifier:
1748341
DOI:
https://doi.org/10.17188/1748341

Citation Formats

The Materials Project. Materials Data on Ba2CrMoO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748341.
The Materials Project. Materials Data on Ba2CrMoO6 by Materials Project. United States. doi:https://doi.org/10.17188/1748341
The Materials Project. 2020. "Materials Data on Ba2CrMoO6 by Materials Project". United States. doi:https://doi.org/10.17188/1748341. https://www.osti.gov/servlets/purl/1748341. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1748341,
title = {Materials Data on Ba2CrMoO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2CrMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent MoO6 octahedra, and faces with four equivalent CrO6 octahedra. All Ba–O bond lengths are 2.88 Å. Mo6+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 2.02 Å. Cr2+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 2.05 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Mo6+, and one Cr2+ atom.},
doi = {10.17188/1748341},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}