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Title: Materials Data on Mg(CrSe2)2 by Materials Project

Abstract

Mg(CrSe2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Se2- atoms to form MgSe4 tetrahedra that share corners with twelve equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Mg–Se bond lengths are 2.58 Å. Cr3+ is bonded to six equivalent Se2- atoms to form CrSe6 octahedra that share corners with six equivalent MgSe4 tetrahedra and edges with six equivalent CrSe6 octahedra. All Cr–Se bond lengths are 2.56 Å. Se2- is bonded to one Mg2+ and three equivalent Cr3+ atoms to form a mixture of distorted corner and edge-sharing SeMgCr3 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-996957
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg(CrSe2)2; Cr-Mg-Se
OSTI Identifier:
1317078
DOI:
https://doi.org/10.17188/1317078

Citation Formats

The Materials Project. Materials Data on Mg(CrSe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317078.
The Materials Project. Materials Data on Mg(CrSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1317078
The Materials Project. 2020. "Materials Data on Mg(CrSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1317078. https://www.osti.gov/servlets/purl/1317078. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1317078,
title = {Materials Data on Mg(CrSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(CrSe2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Se2- atoms to form MgSe4 tetrahedra that share corners with twelve equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Mg–Se bond lengths are 2.58 Å. Cr3+ is bonded to six equivalent Se2- atoms to form CrSe6 octahedra that share corners with six equivalent MgSe4 tetrahedra and edges with six equivalent CrSe6 octahedra. All Cr–Se bond lengths are 2.56 Å. Se2- is bonded to one Mg2+ and three equivalent Cr3+ atoms to form a mixture of distorted corner and edge-sharing SeMgCr3 trigonal pyramids.},
doi = {10.17188/1317078},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}