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Title: Materials Data on MgCo3O7 by Materials Project

Abstract

MgCo3O7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.51 Å. There are two inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing CoO5 trigonal bipyramids. There are a spread of Co–O bond distances ranging from 1.67–1.96 Å. In the second Co4+ site, Co4+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing CoO5 trigonal bipyramids. There are a spread of Co–O bond distances ranging from 1.67–1.92 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one Co4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one Co4+ atom. In the third O2- site, O2- is bonded to one Mg2+ and three Co4+ atoms to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 4-coordinatemore » geometry to one Mg2+ and three Co4+ atoms.« less

Publication Date:
Other Number(s):
mvc-9167
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; MgCo3O7; Co-Mg-O
OSTI Identifier:
1323442
DOI:
https://doi.org/10.17188/1323442

Citation Formats

The Materials Project. Materials Data on MgCo3O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1323442.
The Materials Project. Materials Data on MgCo3O7 by Materials Project. United States. doi:https://doi.org/10.17188/1323442
The Materials Project. 2020. "Materials Data on MgCo3O7 by Materials Project". United States. doi:https://doi.org/10.17188/1323442. https://www.osti.gov/servlets/purl/1323442. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1323442,
title = {Materials Data on MgCo3O7 by Materials Project},
author = {The Materials Project},
abstractNote = {MgCo3O7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.51 Å. There are two inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing CoO5 trigonal bipyramids. There are a spread of Co–O bond distances ranging from 1.67–1.96 Å. In the second Co4+ site, Co4+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing CoO5 trigonal bipyramids. There are a spread of Co–O bond distances ranging from 1.67–1.92 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one Co4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one Co4+ atom. In the third O2- site, O2- is bonded to one Mg2+ and three Co4+ atoms to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+ and three Co4+ atoms.},
doi = {10.17188/1323442},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}