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Title: Materials Data on CuBiO3 by Materials Project

Abstract

CuBiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu1+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent BiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.93 Å. Bi5+ is bonded to twelve equivalent O2- atoms to form BiO12 cuboctahedra that share corners with twelve equivalent BiO12 cuboctahedra, faces with six equivalent BiO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All Bi–O bond lengths are 2.72 Å. O2- is bonded in a distorted linear geometry to two equivalent Cu1+ and four equivalent Bi5+ atoms.

Publication Date:
Other Number(s):
mp-1184051
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; CuBiO3; Bi-Cu-O
OSTI Identifier:
1685751
DOI:
https://doi.org/10.17188/1685751

Citation Formats

The Materials Project. Materials Data on CuBiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685751.
The Materials Project. Materials Data on CuBiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1685751
The Materials Project. 2020. "Materials Data on CuBiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1685751. https://www.osti.gov/servlets/purl/1685751. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1685751,
title = {Materials Data on CuBiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CuBiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu1+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent BiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.93 Å. Bi5+ is bonded to twelve equivalent O2- atoms to form BiO12 cuboctahedra that share corners with twelve equivalent BiO12 cuboctahedra, faces with six equivalent BiO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All Bi–O bond lengths are 2.72 Å. O2- is bonded in a distorted linear geometry to two equivalent Cu1+ and four equivalent Bi5+ atoms.},
doi = {10.17188/1685751},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}