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Title: Materials Data on BaSrYbReO6 by Materials Project

Abstract

BaSrYbReO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m 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 SrO12 cuboctahedra, faces with four equivalent YbO6 octahedra, and faces with four equivalent ReO6 octahedra. All Ba–O bond lengths are 2.96 Å. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent YbO6 octahedra, and faces with four equivalent ReO6 octahedra. All Sr–O bond lengths are 2.96 Å. Yb3+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent ReO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–O bond lengths are 2.25 Å. Re5+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent YbO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengthsmore » are 1.94 Å. O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent Sr2+, one Yb3+, and one Re5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1227369
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; BaSrYbReO6; Ba-O-Re-Sr-Yb
OSTI Identifier:
1731934
DOI:
https://doi.org/10.17188/1731934

Citation Formats

The Materials Project. Materials Data on BaSrYbReO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731934.
The Materials Project. Materials Data on BaSrYbReO6 by Materials Project. United States. doi:https://doi.org/10.17188/1731934
The Materials Project. 2020. "Materials Data on BaSrYbReO6 by Materials Project". United States. doi:https://doi.org/10.17188/1731934. https://www.osti.gov/servlets/purl/1731934. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1731934,
title = {Materials Data on BaSrYbReO6 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSrYbReO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m 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 SrO12 cuboctahedra, faces with four equivalent YbO6 octahedra, and faces with four equivalent ReO6 octahedra. All Ba–O bond lengths are 2.96 Å. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent YbO6 octahedra, and faces with four equivalent ReO6 octahedra. All Sr–O bond lengths are 2.96 Å. Yb3+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent ReO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–O bond lengths are 2.25 Å. Re5+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent YbO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 1.94 Å. O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent Sr2+, one Yb3+, and one Re5+ atom.},
doi = {10.17188/1731934},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}