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Title: Materials Data on MgMnO3 by Materials Project

Abstract

MgMnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.06–2.62 Å. Mn4+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 40–42°. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Mn4+ atoms to form distorted corner-sharing OMg2Mn2 trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Mg2+ and two equivalent Mn4+ atoms.

Publication Date:
Other Number(s):
mp-770581
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; MgMnO3; Mg-Mn-O
OSTI Identifier:
1299896
DOI:
10.17188/1299896

Citation Formats

The Materials Project. Materials Data on MgMnO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1299896.
The Materials Project. Materials Data on MgMnO3 by Materials Project. United States. doi:10.17188/1299896.
The Materials Project. 2020. "Materials Data on MgMnO3 by Materials Project". United States. doi:10.17188/1299896. https://www.osti.gov/servlets/purl/1299896. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1299896,
title = {Materials Data on MgMnO3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgMnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.06–2.62 Å. Mn4+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 40–42°. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Mn4+ atoms to form distorted corner-sharing OMg2Mn2 trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Mg2+ and two equivalent Mn4+ atoms.},
doi = {10.17188/1299896},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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