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Title: Materials Data on BaSr3 by Materials Project

Abstract

BaSr3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded to twelve Sr atoms to form BaSr12 cuboctahedra that share corners with four equivalent BaSr12 cuboctahedra, corners with eight equivalent SrBa4Sr8 cuboctahedra, edges with eight equivalent BaSr12 cuboctahedra, edges with sixteen equivalent SrBa4Sr8 cuboctahedra, faces with four equivalent BaSr12 cuboctahedra, and faces with fourteen SrBa4Sr8 cuboctahedra. There are eight shorter (4.32 Å) and four longer (4.35 Å) Ba–Sr bond lengths. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded to four equivalent Ba and eight Sr atoms to form SrBa4Sr8 cuboctahedra that share corners with twelve equivalent SrBa4Sr8 cuboctahedra, edges with eight equivalent BaSr12 cuboctahedra, edges with sixteen SrBa4Sr8 cuboctahedra, faces with four equivalent BaSr12 cuboctahedra, and faces with fourteen SrBa4Sr8 cuboctahedra. There are four shorter (4.32 Å) and four longer (4.35 Å) Sr–Sr bond lengths. In the second Sr site, Sr is bonded to four equivalent Ba and eight equivalent Sr atoms to form SrBa4Sr8 cuboctahedra that share corners with four equivalent SrBa4Sr8 cuboctahedra, corners with eight equivalent BaSr12 cuboctahedra, edges with twenty-four SrBa4Sr8 cuboctahedra, faces with six equivalent BaSr12 cuboctahedra, and faces withmore » twelve SrBa4Sr8 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1183335
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; BaSr3; Ba-Sr
OSTI Identifier:
1753103
DOI:
https://doi.org/10.17188/1753103

Citation Formats

The Materials Project. Materials Data on BaSr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753103.
The Materials Project. Materials Data on BaSr3 by Materials Project. United States. doi:https://doi.org/10.17188/1753103
The Materials Project. 2020. "Materials Data on BaSr3 by Materials Project". United States. doi:https://doi.org/10.17188/1753103. https://www.osti.gov/servlets/purl/1753103. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1753103,
title = {Materials Data on BaSr3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSr3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded to twelve Sr atoms to form BaSr12 cuboctahedra that share corners with four equivalent BaSr12 cuboctahedra, corners with eight equivalent SrBa4Sr8 cuboctahedra, edges with eight equivalent BaSr12 cuboctahedra, edges with sixteen equivalent SrBa4Sr8 cuboctahedra, faces with four equivalent BaSr12 cuboctahedra, and faces with fourteen SrBa4Sr8 cuboctahedra. There are eight shorter (4.32 Å) and four longer (4.35 Å) Ba–Sr bond lengths. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded to four equivalent Ba and eight Sr atoms to form SrBa4Sr8 cuboctahedra that share corners with twelve equivalent SrBa4Sr8 cuboctahedra, edges with eight equivalent BaSr12 cuboctahedra, edges with sixteen SrBa4Sr8 cuboctahedra, faces with four equivalent BaSr12 cuboctahedra, and faces with fourteen SrBa4Sr8 cuboctahedra. There are four shorter (4.32 Å) and four longer (4.35 Å) Sr–Sr bond lengths. In the second Sr site, Sr is bonded to four equivalent Ba and eight equivalent Sr atoms to form SrBa4Sr8 cuboctahedra that share corners with four equivalent SrBa4Sr8 cuboctahedra, corners with eight equivalent BaSr12 cuboctahedra, edges with twenty-four SrBa4Sr8 cuboctahedra, faces with six equivalent BaSr12 cuboctahedra, and faces with twelve SrBa4Sr8 cuboctahedra.},
doi = {10.17188/1753103},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}