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Title: Materials Data on MgMnO3 by Materials Project

Abstract

MgMnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent MnO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one MnO6 octahedra. The corner-sharing octahedra tilt angles range from 42–60°. There are three shorter (2.03 Å) and three longer (2.20 Å) Mg–O bond lengths. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent MnO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 42–60°. There is three shorter (1.93 Å) and three longer (1.95 Å) Mn–O bond length. O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent Mn4+ atoms.

Publication Date:
Other Number(s):
mp-770618
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:
1299932
DOI:
10.17188/1299932

Citation Formats

The Materials Project. Materials Data on MgMnO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1299932.
The Materials Project. Materials Data on MgMnO3 by Materials Project. United States. doi:10.17188/1299932.
The Materials Project. 2020. "Materials Data on MgMnO3 by Materials Project". United States. doi:10.17188/1299932. https://www.osti.gov/servlets/purl/1299932. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1299932,
title = {Materials Data on MgMnO3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgMnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent MnO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one MnO6 octahedra. The corner-sharing octahedra tilt angles range from 42–60°. There are three shorter (2.03 Å) and three longer (2.20 Å) Mg–O bond lengths. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent MnO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 42–60°. There is three shorter (1.93 Å) and three longer (1.95 Å) Mn–O bond length. O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent Mn4+ atoms.},
doi = {10.17188/1299932},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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