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Title: Materials Data on MnReO4 by Materials Project

Abstract

ReMnO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Re6+ is bonded to six O2- atoms to form distorted ReO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Re–O bond distances ranging from 1.83–2.07 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent ReO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Mn–O bond distances ranging from 2.16–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Re6+ and one Mn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Re6+ and two equivalent Mn2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-31906
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; MnReO4; Mn-O-Re
OSTI Identifier:
1205968
DOI:
10.17188/1205968

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on MnReO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205968.
Persson, Kristin, & Project, Materials. Materials Data on MnReO4 by Materials Project. United States. doi:10.17188/1205968.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on MnReO4 by Materials Project". United States. doi:10.17188/1205968. https://www.osti.gov/servlets/purl/1205968. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205968,
title = {Materials Data on MnReO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ReMnO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Re6+ is bonded to six O2- atoms to form distorted ReO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Re–O bond distances ranging from 1.83–2.07 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent ReO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Mn–O bond distances ranging from 2.16–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Re6+ and one Mn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Re6+ and two equivalent Mn2+ atoms.},
doi = {10.17188/1205968},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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