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Title: Materials Data on BaBeO3 by Materials Project

Abstract

BaBeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Ba–O bond lengths are 2.75 Å. Be is bonded to six equivalent O atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.95 Å. O is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Be atoms.

Publication Date:
Other Number(s):
mp-1183282
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; BaBeO3; Ba-Be-O
OSTI Identifier:
1759369
DOI:
https://doi.org/10.17188/1759369

Citation Formats

The Materials Project. Materials Data on BaBeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759369.
The Materials Project. Materials Data on BaBeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1759369
The Materials Project. 2020. "Materials Data on BaBeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1759369. https://www.osti.gov/servlets/purl/1759369. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759369,
title = {Materials Data on BaBeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaBeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Ba–O bond lengths are 2.75 Å. Be is bonded to six equivalent O atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.95 Å. O is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Be atoms.},
doi = {10.17188/1759369},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}