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Title: Materials Data on TlCdSe2 by Materials Project

Abstract

CdTlSe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent Se+1.50- atoms to form CdSe6 octahedra that share corners with twelve equivalent TlSe6 octahedra, edges with six equivalent CdSe6 octahedra, and faces with two equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Cd–Se bond lengths are 2.87 Å. Tl1+ is bonded to six equivalent Se+1.50- atoms to form TlSe6 octahedra that share corners with twelve equivalent CdSe6 octahedra, edges with six equivalent TlSe6 octahedra, and faces with two equivalent CdSe6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Tl–Se bond lengths are 3.09 Å. Se+1.50- is bonded in a 6-coordinate geometry to three equivalent Cd2+ and three equivalent Tl1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-998946
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; TlCdSe2; Cd-Se-Tl
OSTI Identifier:
1317432
DOI:
https://doi.org/10.17188/1317432

Citation Formats

The Materials Project. Materials Data on TlCdSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317432.
The Materials Project. Materials Data on TlCdSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1317432
The Materials Project. 2020. "Materials Data on TlCdSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1317432. https://www.osti.gov/servlets/purl/1317432. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1317432,
title = {Materials Data on TlCdSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {CdTlSe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent Se+1.50- atoms to form CdSe6 octahedra that share corners with twelve equivalent TlSe6 octahedra, edges with six equivalent CdSe6 octahedra, and faces with two equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Cd–Se bond lengths are 2.87 Å. Tl1+ is bonded to six equivalent Se+1.50- atoms to form TlSe6 octahedra that share corners with twelve equivalent CdSe6 octahedra, edges with six equivalent TlSe6 octahedra, and faces with two equivalent CdSe6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Tl–Se bond lengths are 3.09 Å. Se+1.50- is bonded in a 6-coordinate geometry to three equivalent Cd2+ and three equivalent Tl1+ atoms.},
doi = {10.17188/1317432},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}