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Title: Materials Data on Mn2CrO6 by Materials Project

Abstract

CrMn2O6 is trigonal omega-derived structured and crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two CrMn2O6 sheets oriented in the (0, 0, 1) direction. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share edges with six equivalent MnO6 octahedra. There is two shorter (1.94 Å) and four longer (1.95 Å) Cr–O bond length. Mn+4.50+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with three equivalent CrO6 octahedra and edges with three equivalent MnO6 octahedra. All Mn–O bond lengths are 1.94 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cr3+ and two equivalent Mn+4.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cr3+ and two equivalent Mn+4.50+ atoms.

Publication Date:
Other Number(s):
mp-767158
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; Mn2CrO6; Cr-Mn-O
OSTI Identifier:
1297390
DOI:
10.17188/1297390

Citation Formats

The Materials Project. Materials Data on Mn2CrO6 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1297390.
The Materials Project. Materials Data on Mn2CrO6 by Materials Project. United States. doi:10.17188/1297390.
The Materials Project. 2017. "Materials Data on Mn2CrO6 by Materials Project". United States. doi:10.17188/1297390. https://www.osti.gov/servlets/purl/1297390. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1297390,
title = {Materials Data on Mn2CrO6 by Materials Project},
author = {The Materials Project},
abstractNote = {CrMn2O6 is trigonal omega-derived structured and crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two CrMn2O6 sheets oriented in the (0, 0, 1) direction. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share edges with six equivalent MnO6 octahedra. There is two shorter (1.94 Å) and four longer (1.95 Å) Cr–O bond length. Mn+4.50+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with three equivalent CrO6 octahedra and edges with three equivalent MnO6 octahedra. All Mn–O bond lengths are 1.94 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cr3+ and two equivalent Mn+4.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cr3+ and two equivalent Mn+4.50+ atoms.},
doi = {10.17188/1297390},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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