skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Tl3SnSe4 by Materials Project

Abstract

Tl3SnSe4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Tl+1.67+ sites. In the first Tl+1.67+ site, Tl+1.67+ is bonded in a 4-coordinate geometry to five Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.04–3.72 Å. In the second Tl+1.67+ site, Tl+1.67+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.24–3.61 Å. In the third Tl+1.67+ site, Tl+1.67+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 2.99–3.64 Å. Sn3+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Sn–Se bond distances ranging from 2.57–2.61 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tl+1.67+ and one Sn3+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tl+1.67+ and one Sn3+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tl+1.67+ and one Sn3+ atom. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometrymore » to four Tl+1.67+ and one Sn3+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-733717
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; Tl3SnSe4; Se-Sn-Tl
OSTI Identifier:
1287706
DOI:
10.17188/1287706

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Tl3SnSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287706.
Persson, Kristin, & Project, Materials. Materials Data on Tl3SnSe4 by Materials Project. United States. doi:10.17188/1287706.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Tl3SnSe4 by Materials Project". United States. doi:10.17188/1287706. https://www.osti.gov/servlets/purl/1287706. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1287706,
title = {Materials Data on Tl3SnSe4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Tl3SnSe4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Tl+1.67+ sites. In the first Tl+1.67+ site, Tl+1.67+ is bonded in a 4-coordinate geometry to five Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.04–3.72 Å. In the second Tl+1.67+ site, Tl+1.67+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.24–3.61 Å. In the third Tl+1.67+ site, Tl+1.67+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 2.99–3.64 Å. Sn3+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Sn–Se bond distances ranging from 2.57–2.61 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tl+1.67+ and one Sn3+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tl+1.67+ and one Sn3+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tl+1.67+ and one Sn3+ atom. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tl+1.67+ and one Sn3+ atom.},
doi = {10.17188/1287706},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: