skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on MgCoO3 by Materials Project

Abstract

MgCoO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent CoO6 octahedra. All Mg–O bond lengths are 2.61 Å. Co4+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Co–O bond lengths are 1.85 Å. O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Co4+ atoms.

Publication Date:
Other Number(s):
mp-1076820
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; MgCoO3; Co-Mg-O
OSTI Identifier:
1476036
DOI:
https://doi.org/10.17188/1476036

Citation Formats

The Materials Project. Materials Data on MgCoO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1476036.
The Materials Project. Materials Data on MgCoO3 by Materials Project. United States. doi:https://doi.org/10.17188/1476036
The Materials Project. 2020. "Materials Data on MgCoO3 by Materials Project". United States. doi:https://doi.org/10.17188/1476036. https://www.osti.gov/servlets/purl/1476036. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1476036,
title = {Materials Data on MgCoO3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgCoO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent CoO6 octahedra. All Mg–O bond lengths are 2.61 Å. Co4+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Co–O bond lengths are 1.85 Å. O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Co4+ atoms.},
doi = {10.17188/1476036},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}