Title: Materials Data on Cd(InSe2)2 by Materials Project

Abstract

CdIn2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with twelve equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Cd–Se bond lengths are 2.70 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent CdSe4 tetrahedra and edges with six equivalent InSe6 octahedra. All In–Se bond lengths are 2.79 Å. Se2- is bonded to one Cd2+ and three equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing SeCdIn3 trigonal pyramids.

Publication Date:
Other Number(s):
mp-22587
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; Cd(InSe2)2; Cd-In-Se; crystal structure
OSTI Identifier:
1198805
DOI:
https://doi.org/10.17188/1198805

Citation Formats

Materials Data on Cd(InSe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198805.
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Materials Data on Cd(InSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1198805
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2020. "Materials Data on Cd(InSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1198805. https://www.osti.gov/servlets/purl/1198805. Pub date:Fri Jul 17 20:00:00 EDT 2020
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@article{osti_1198805,
title = {Materials Data on Cd(InSe2)2 by Materials Project},
abstractNote = {CdIn2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with twelve equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Cd–Se bond lengths are 2.70 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent CdSe4 tetrahedra and edges with six equivalent InSe6 octahedra. All In–Se bond lengths are 2.79 Å. Se2- is bonded to one Cd2+ and three equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing SeCdIn3 trigonal pyramids.},
doi = {10.17188/1198805},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1198805
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