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Title: Materials Data on Ba2SmUO6 by Materials Project

Abstract

Ba2USmO6 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 UO6 octahedra, and faces with four equivalent SmO6 octahedra. All Ba–O bond lengths are 3.15 Å. U5+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent SmO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All U–O bond lengths are 2.15 Å. Sm3+ is bonded to six equivalent O2- atoms to form SmO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–O bond lengths are 2.30 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one U5+, and one Sm3+ atom.

Publication Date:
Other Number(s):
mp-1207130
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; Ba2SmUO6; Ba-O-Sm-U
OSTI Identifier:
1753058
DOI:
https://doi.org/10.17188/1753058

Citation Formats

The Materials Project. Materials Data on Ba2SmUO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753058.
The Materials Project. Materials Data on Ba2SmUO6 by Materials Project. United States. doi:https://doi.org/10.17188/1753058
The Materials Project. 2020. "Materials Data on Ba2SmUO6 by Materials Project". United States. doi:https://doi.org/10.17188/1753058. https://www.osti.gov/servlets/purl/1753058. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1753058,
title = {Materials Data on Ba2SmUO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2USmO6 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 UO6 octahedra, and faces with four equivalent SmO6 octahedra. All Ba–O bond lengths are 3.15 Å. U5+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent SmO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All U–O bond lengths are 2.15 Å. Sm3+ is bonded to six equivalent O2- atoms to form SmO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–O bond lengths are 2.30 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one U5+, and one Sm3+ atom.},
doi = {10.17188/1753058},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}