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Title: Materials Data on Mn(CoO3)2 by Materials Project

Abstract

Mn(CoO3)2 is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Mn(CoO3)2 sheet oriented in the (2, 0, -1) direction. Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent MnO6 octahedra and edges with four equivalent CoO6 octahedra. There is four shorter (1.93 Å) and two longer (1.94 Å) Mn–O bond length. Co+2.50+ is bonded to six O2- atoms to form CoO6 octahedra that share edges with two equivalent MnO6 octahedra and edges with four equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–1.90 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mn7+ and two equivalent Co+2.50+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Mn7+ and one Co+2.50+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Co+2.50+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-763057
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; Mn(CoO3)2; Co-Mn-O
OSTI Identifier:
1293155
DOI:
10.17188/1293155

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mn(CoO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1293155.
Persson, Kristin, & Project, Materials. Materials Data on Mn(CoO3)2 by Materials Project. United States. doi:10.17188/1293155.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Mn(CoO3)2 by Materials Project". United States. doi:10.17188/1293155. https://www.osti.gov/servlets/purl/1293155. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1293155,
title = {Materials Data on Mn(CoO3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mn(CoO3)2 is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Mn(CoO3)2 sheet oriented in the (2, 0, -1) direction. Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent MnO6 octahedra and edges with four equivalent CoO6 octahedra. There is four shorter (1.93 Å) and two longer (1.94 Å) Mn–O bond length. Co+2.50+ is bonded to six O2- atoms to form CoO6 octahedra that share edges with two equivalent MnO6 octahedra and edges with four equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–1.90 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mn7+ and two equivalent Co+2.50+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Mn7+ and one Co+2.50+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Co+2.50+ atoms.},
doi = {10.17188/1293155},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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