Title: Materials Data on CaZnSe2 by Materials Project

Abstract

CaZnSe2 is Enargite-like 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 ZnSe4 tetrahedra. All Ca–Se bond lengths are 2.83 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight equivalent CaSe4 tetrahedra. All Zn–Se bond lengths are 2.53 Å. Se2- is bonded to two equivalent Ca2+ and two equivalent Zn2+ atoms to form corner-sharing SeCa2Zn2 tetrahedra.

Publication Date:
Other Number(s):
mp-1018089
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Ca-Se-Zn; CaZnSe2; crystal structure
OSTI Identifier:
1350232
DOI:
https://doi.org/10.17188/1350232

Citation Formats

Materials Data on CaZnSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350232.
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Materials Data on CaZnSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1350232
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2020. "Materials Data on CaZnSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1350232. https://www.osti.gov/servlets/purl/1350232. Pub date:Thu Jul 23 20:00:00 EDT 2020
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@article{osti_1350232,
title = {Materials Data on CaZnSe2 by Materials Project},
abstractNote = {CaZnSe2 is Enargite-like 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 ZnSe4 tetrahedra. All Ca–Se bond lengths are 2.83 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight equivalent CaSe4 tetrahedra. All Zn–Se bond lengths are 2.53 Å. Se2- is bonded to two equivalent Ca2+ and two equivalent Zn2+ atoms to form corner-sharing SeCa2Zn2 tetrahedra.},
doi = {10.17188/1350232},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1350232
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