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Title: Materials Data on TlSbSe2 by Materials Project

Abstract

TlSbSe2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Tl1+ is bonded to two equivalent Sb3+ and four equivalent Se2- atoms to form a mixture of edge and corner-sharing TlSb2Se4 octahedra. The corner-sharing octahedra tilt angles range from 2–16°. Both Tl–Sb bond lengths are 3.01 Å. There are a spread of Tl–Se bond distances ranging from 2.99–3.17 Å. Sb3+ is bonded in a 6-coordinate geometry to two equivalent Tl1+ and four equivalent Se2- atoms. There are a spread of Sb–Se bond distances ranging from 2.77–3.43 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four equivalent Tl1+ atoms. In the second Se2- site, Se2- is bonded in a distorted water-like geometry to four equivalent Sb3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-37710
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; TlSbSe2; Sb-Se-Tl
OSTI Identifier:
1207401
DOI:
10.17188/1207401

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TlSbSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207401.
Persson, Kristin, & Project, Materials. Materials Data on TlSbSe2 by Materials Project. United States. doi:10.17188/1207401.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TlSbSe2 by Materials Project". United States. doi:10.17188/1207401. https://www.osti.gov/servlets/purl/1207401. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1207401,
title = {Materials Data on TlSbSe2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TlSbSe2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Tl1+ is bonded to two equivalent Sb3+ and four equivalent Se2- atoms to form a mixture of edge and corner-sharing TlSb2Se4 octahedra. The corner-sharing octahedra tilt angles range from 2–16°. Both Tl–Sb bond lengths are 3.01 Å. There are a spread of Tl–Se bond distances ranging from 2.99–3.17 Å. Sb3+ is bonded in a 6-coordinate geometry to two equivalent Tl1+ and four equivalent Se2- atoms. There are a spread of Sb–Se bond distances ranging from 2.77–3.43 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four equivalent Tl1+ atoms. In the second Se2- site, Se2- is bonded in a distorted water-like geometry to four equivalent Sb3+ atoms.},
doi = {10.17188/1207401},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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