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Title: Materials Data on CaCoSe2 by Materials Project

Abstract

CaCoSe2 is lead oxide-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent Se2- atoms to form CaSe4 tetrahedra that share corners with four equivalent CaSe4 tetrahedra and corners with eight equivalent CoSe4 trigonal pyramids. All Ca–Se bond lengths are 2.83 Å. Co2+ is bonded to four equivalent Se2- atoms to form distorted CoSe4 trigonal pyramids that share corners with eight equivalent CaSe4 tetrahedra and corners with four equivalent CoSe4 trigonal pyramids. All Co–Se bond lengths are 2.35 Å. Se2- is bonded to two equivalent Ca2+ and two equivalent Co2+ atoms to form corner-sharing SeCa2Co2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1147527
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; CaCoSe2; Ca-Co-Se
OSTI Identifier:
1654688
DOI:
https://doi.org/10.17188/1654688

Citation Formats

The Materials Project. Materials Data on CaCoSe2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1654688.
The Materials Project. Materials Data on CaCoSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1654688
The Materials Project. 2018. "Materials Data on CaCoSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1654688. https://www.osti.gov/servlets/purl/1654688. Pub date:Thu Dec 27 00:00:00 EST 2018
@article{osti_1654688,
title = {Materials Data on CaCoSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaCoSe2 is lead oxide-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent Se2- atoms to form CaSe4 tetrahedra that share corners with four equivalent CaSe4 tetrahedra and corners with eight equivalent CoSe4 trigonal pyramids. All Ca–Se bond lengths are 2.83 Å. Co2+ is bonded to four equivalent Se2- atoms to form distorted CoSe4 trigonal pyramids that share corners with eight equivalent CaSe4 tetrahedra and corners with four equivalent CoSe4 trigonal pyramids. All Co–Se bond lengths are 2.35 Å. Se2- is bonded to two equivalent Ca2+ and two equivalent Co2+ atoms to form corner-sharing SeCa2Co2 tetrahedra.},
doi = {10.17188/1654688},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {12}
}