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Title: Materials Data on BaCuO2 by Materials Project

Abstract

BaCuO2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.79 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.01 Å. O2- is bonded to four equivalent Ba2+ and two equivalent Cu2+ atoms to form a mixture of distorted face, edge, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.

Publication Date:
Other Number(s):
mp-752398
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; BaCuO2; Ba-Cu-O
OSTI Identifier:
1272676
DOI:
10.17188/1272676

Citation Formats

The Materials Project. Materials Data on BaCuO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272676.
The Materials Project. Materials Data on BaCuO2 by Materials Project. United States. doi:10.17188/1272676.
The Materials Project. 2020. "Materials Data on BaCuO2 by Materials Project". United States. doi:10.17188/1272676. https://www.osti.gov/servlets/purl/1272676. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1272676,
title = {Materials Data on BaCuO2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaCuO2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.79 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.01 Å. O2- is bonded to four equivalent Ba2+ and two equivalent Cu2+ atoms to form a mixture of distorted face, edge, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.},
doi = {10.17188/1272676},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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