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Title: Materials Data on Cr2CoSe4 by Materials Project

Abstract

CoCr2Se4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cr3+ is bonded in a 6-coordinate geometry to one Co2+ and five Se2- atoms. The Cr–Co bond length is 1.91 Å. There are a spread of Cr–Se bond distances ranging from 2.24–3.27 Å. Co2+ is bonded in a square co-planar geometry to two equivalent Cr3+ and two equivalent Se2- atoms. Both Co–Se bond lengths are 2.19 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cr3+ and one Co2+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to three equivalent Cr3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-676073
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; Cr2CoSe4; Co-Cr-Se
OSTI Identifier:
1282925
DOI:
https://doi.org/10.17188/1282925

Citation Formats

The Materials Project. Materials Data on Cr2CoSe4 by Materials Project. United States: N. p., 2013. Web. doi:10.17188/1282925.
The Materials Project. Materials Data on Cr2CoSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1282925
The Materials Project. 2013. "Materials Data on Cr2CoSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1282925. https://www.osti.gov/servlets/purl/1282925. Pub date:Tue Nov 12 00:00:00 EST 2013
@article{osti_1282925,
title = {Materials Data on Cr2CoSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {CoCr2Se4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cr3+ is bonded in a 6-coordinate geometry to one Co2+ and five Se2- atoms. The Cr–Co bond length is 1.91 Å. There are a spread of Cr–Se bond distances ranging from 2.24–3.27 Å. Co2+ is bonded in a square co-planar geometry to two equivalent Cr3+ and two equivalent Se2- atoms. Both Co–Se bond lengths are 2.19 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cr3+ and one Co2+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to three equivalent Cr3+ atoms.},
doi = {10.17188/1282925},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2013},
month = {11}
}