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Title: Materials Data on Ba2YbBiO6 by Materials Project

Abstract

Ba2YbBiO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent YbO6 octahedra, and faces with four equivalent BiO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.89–3.30 Å. Yb3+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. All Yb–O bond lengths are 2.26 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent YbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. All Bi–O bond lengths are 2.12 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Yb3+, and one Bi5+ atom.

Publication Date:
Other Number(s):
mp-545436
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; Ba2YbBiO6; Ba-Bi-O-Yb
OSTI Identifier:
1266998
DOI:
https://doi.org/10.17188/1266998

Citation Formats

The Materials Project. Materials Data on Ba2YbBiO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266998.
The Materials Project. Materials Data on Ba2YbBiO6 by Materials Project. United States. doi:https://doi.org/10.17188/1266998
The Materials Project. 2020. "Materials Data on Ba2YbBiO6 by Materials Project". United States. doi:https://doi.org/10.17188/1266998. https://www.osti.gov/servlets/purl/1266998. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1266998,
title = {Materials Data on Ba2YbBiO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2YbBiO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent YbO6 octahedra, and faces with four equivalent BiO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.89–3.30 Å. Yb3+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. All Yb–O bond lengths are 2.26 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent YbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. All Bi–O bond lengths are 2.12 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Yb3+, and one Bi5+ atom.},
doi = {10.17188/1266998},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}