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Title: Materials Data on TlSbSe2 by Materials Project

Abstract

TlSbSe2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Tl1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are four shorter (3.15 Å) and two longer (3.74 Å) Tl–Se bond lengths. Sb3+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing SbSe5 square pyramids. There are one shorter (2.53 Å) and four longer (2.98 Å) Sb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Tl1+ and four equivalent Sb3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Sb3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1216592
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; TlSbSe2; Sb-Se-Tl
OSTI Identifier:
1726861
DOI:
https://doi.org/10.17188/1726861

Citation Formats

The Materials Project. Materials Data on TlSbSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1726861.
The Materials Project. Materials Data on TlSbSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1726861
The Materials Project. 2020. "Materials Data on TlSbSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1726861. https://www.osti.gov/servlets/purl/1726861. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1726861,
title = {Materials Data on TlSbSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {TlSbSe2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Tl1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are four shorter (3.15 Å) and two longer (3.74 Å) Tl–Se bond lengths. Sb3+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing SbSe5 square pyramids. There are one shorter (2.53 Å) and four longer (2.98 Å) Sb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Tl1+ and four equivalent Sb3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Sb3+ atom.},
doi = {10.17188/1726861},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}