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Title: Materials Data on MnCoO3 by Materials Project

Abstract

CoMnO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent CoO6 octahedra, edges with four equivalent MnO6 octahedra, and a faceface with one CoO6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There are a spread of Mn–O bond distances ranging from 1.92–2.11 Å. Co4+ is bonded to six O2- atoms to form distorted CoO6 octahedra that share corners with eight equivalent MnO6 octahedra, edges with four equivalent CoO6 octahedra, and a faceface with one MnO6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There are a spread of Co–O bond distances ranging from 1.92–2.41 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mn2+ and one Co4+ atom. In the second O2- site, O2- is bonded to one Mn2+ and three equivalent Co4+ atoms to form a mixture of edge and corner-sharing OMnCo3 trigonal pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Mn2+ and two equivalent Co4+ atoms.

Publication Date:
Other Number(s):
mp-1181286
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; MnCoO3; Co-Mn-O
OSTI Identifier:
1707317
DOI:
https://doi.org/10.17188/1707317

Citation Formats

The Materials Project. Materials Data on MnCoO3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1707317.
The Materials Project. Materials Data on MnCoO3 by Materials Project. United States. doi:https://doi.org/10.17188/1707317
The Materials Project. 2019. "Materials Data on MnCoO3 by Materials Project". United States. doi:https://doi.org/10.17188/1707317. https://www.osti.gov/servlets/purl/1707317. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1707317,
title = {Materials Data on MnCoO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CoMnO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent CoO6 octahedra, edges with four equivalent MnO6 octahedra, and a faceface with one CoO6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There are a spread of Mn–O bond distances ranging from 1.92–2.11 Å. Co4+ is bonded to six O2- atoms to form distorted CoO6 octahedra that share corners with eight equivalent MnO6 octahedra, edges with four equivalent CoO6 octahedra, and a faceface with one MnO6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There are a spread of Co–O bond distances ranging from 1.92–2.41 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mn2+ and one Co4+ atom. In the second O2- site, O2- is bonded to one Mn2+ and three equivalent Co4+ atoms to form a mixture of edge and corner-sharing OMnCo3 trigonal pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Mn2+ and two equivalent Co4+ atoms.},
doi = {10.17188/1707317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}