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

Abstract

CdIn2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with eight InSe4 tetrahedra. All Cd–Se bond lengths are 2.70 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. In the second In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two In3+ atoms.

Publication Date:
Other Number(s):
mp-22304
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cd(InSe2)2; Cd-In-Se
OSTI Identifier:
1197538
DOI:
10.17188/1197538

Citation Formats

The Materials Project. Materials Data on Cd(InSe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197538.
The Materials Project. Materials Data on Cd(InSe2)2 by Materials Project. United States. doi:10.17188/1197538.
The Materials Project. 2020. "Materials Data on Cd(InSe2)2 by Materials Project". United States. doi:10.17188/1197538. https://www.osti.gov/servlets/purl/1197538. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1197538,
title = {Materials Data on Cd(InSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CdIn2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with eight InSe4 tetrahedra. All Cd–Se bond lengths are 2.70 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. In the second In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two In3+ atoms.},
doi = {10.17188/1197538},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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