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Title: Materials Data on BaSrO2 by Materials Project

Abstract

BaO(SrO) is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form BaO6 octahedra that share corners with six equivalent SrO6 octahedra, edges with six equivalent BaO6 octahedra, and edges with six equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Ba–O bond lengths are 2.77 Å. Sr2+ is bonded to six equivalent O2- atoms to form SrO6 octahedra that share corners with six equivalent BaO6 octahedra, edges with six equivalent BaO6 octahedra, and edges with six equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Sr–O bond lengths are 2.65 Å. O2- is bonded to three equivalent Ba2+ and three equivalent Sr2+ atoms to form a mixture of corner and edge-sharing OBa3Sr3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1227311
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; BaSrO2; Ba-O-Sr
OSTI Identifier:
1748902
DOI:
https://doi.org/10.17188/1748902

Citation Formats

The Materials Project. Materials Data on BaSrO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748902.
The Materials Project. Materials Data on BaSrO2 by Materials Project. United States. doi:https://doi.org/10.17188/1748902
The Materials Project. 2020. "Materials Data on BaSrO2 by Materials Project". United States. doi:https://doi.org/10.17188/1748902. https://www.osti.gov/servlets/purl/1748902. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1748902,
title = {Materials Data on BaSrO2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaO(SrO) is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form BaO6 octahedra that share corners with six equivalent SrO6 octahedra, edges with six equivalent BaO6 octahedra, and edges with six equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Ba–O bond lengths are 2.77 Å. Sr2+ is bonded to six equivalent O2- atoms to form SrO6 octahedra that share corners with six equivalent BaO6 octahedra, edges with six equivalent BaO6 octahedra, and edges with six equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Sr–O bond lengths are 2.65 Å. O2- is bonded to three equivalent Ba2+ and three equivalent Sr2+ atoms to form a mixture of corner and edge-sharing OBa3Sr3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1748902},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}