skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Mn2CrO4 by Materials Project

Abstract

Mn2CrO4 is Spinel-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cr4+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent CrO6 octahedra, and edges with four equivalent MnO6 octahedra. There are a spread of Cr–O bond distances ranging from 2.03–2.06 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent MnO6 octahedra, and edges with four equivalent CrO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.95–2.24 Å. In the second Mn2+ site, Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with six equivalent CrO6 octahedra and corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 54–63°. There are two shorter (2.05 Å) and two longer (2.10 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Cr4+ and two Mn2+ atoms. In the second O2- site,more » O2- is bonded in a distorted rectangular see-saw-like geometry to one Cr4+ and three Mn2+ atoms.« less

Publication Date:
Other Number(s):
mp-34139
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; Mn2CrO4; Cr-Mn-O
OSTI Identifier:
1206724
DOI:
10.17188/1206724

Citation Formats

The Materials Project. Materials Data on Mn2CrO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206724.
The Materials Project. Materials Data on Mn2CrO4 by Materials Project. United States. doi:10.17188/1206724.
The Materials Project. 2020. "Materials Data on Mn2CrO4 by Materials Project". United States. doi:10.17188/1206724. https://www.osti.gov/servlets/purl/1206724. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1206724,
title = {Materials Data on Mn2CrO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn2CrO4 is Spinel-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cr4+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent CrO6 octahedra, and edges with four equivalent MnO6 octahedra. There are a spread of Cr–O bond distances ranging from 2.03–2.06 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent MnO6 octahedra, and edges with four equivalent CrO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.95–2.24 Å. In the second Mn2+ site, Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with six equivalent CrO6 octahedra and corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 54–63°. There are two shorter (2.05 Å) and two longer (2.10 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Cr4+ and two Mn2+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Cr4+ and three Mn2+ atoms.},
doi = {10.17188/1206724},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: