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Title: Materials Data on TlCdS2 by Materials Project

Abstract

CdTlS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent S+1.50- atoms to form CdS6 octahedra that share corners with twelve equivalent TlS6 octahedra, edges with six equivalent CdS6 octahedra, and faces with two equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Cd–S bond lengths are 2.75 Å. Tl1+ is bonded to six equivalent S+1.50- atoms to form TlS6 octahedra that share corners with twelve equivalent CdS6 octahedra, edges with six equivalent TlS6 octahedra, and faces with two equivalent CdS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Tl–S bond lengths are 2.99 Å. S+1.50- is bonded in a 6-coordinate geometry to three equivalent Cd2+ and three equivalent Tl1+ atoms.

Publication Date:
Other Number(s):
mp-7708
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; TlCdS2; Cd-S-Tl
OSTI Identifier:
1300101
DOI:
10.17188/1300101

Citation Formats

The Materials Project. Materials Data on TlCdS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300101.
The Materials Project. Materials Data on TlCdS2 by Materials Project. United States. doi:10.17188/1300101.
The Materials Project. 2020. "Materials Data on TlCdS2 by Materials Project". United States. doi:10.17188/1300101. https://www.osti.gov/servlets/purl/1300101. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1300101,
title = {Materials Data on TlCdS2 by Materials Project},
author = {The Materials Project},
abstractNote = {CdTlS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent S+1.50- atoms to form CdS6 octahedra that share corners with twelve equivalent TlS6 octahedra, edges with six equivalent CdS6 octahedra, and faces with two equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Cd–S bond lengths are 2.75 Å. Tl1+ is bonded to six equivalent S+1.50- atoms to form TlS6 octahedra that share corners with twelve equivalent CdS6 octahedra, edges with six equivalent TlS6 octahedra, and faces with two equivalent CdS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Tl–S bond lengths are 2.99 Å. S+1.50- is bonded in a 6-coordinate geometry to three equivalent Cd2+ and three equivalent Tl1+ atoms.},
doi = {10.17188/1300101},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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