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Title: Materials Data on Tl(ZnSb)2 by Materials Project

Abstract

Tl(ZnSb)2 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional and consists of two Tl ribbons oriented in the (0, 0, 1) direction and one ZnSb framework. In each Tl ribbon, Tl1+ is bonded in a 2-coordinate geometry to two equivalent Tl1+ atoms. Both Tl–Tl bond lengths are 3.74 Å. In the ZnSb framework, Zn2+ is bonded to four equivalent Sb+2.50- atoms to form a mixture of corner and edge-sharing ZnSb4 tetrahedra. There are a spread of Zn–Sb bond distances ranging from 2.67–2.74 Å. Sb+2.50- is bonded to four equivalent Zn2+ atoms to form a mixture of corner and edge-sharing SbZn4 tetrahedra.

Publication Date:
Other Number(s):
mp-29740
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; Tl(ZnSb)2; Sb-Tl-Zn
OSTI Identifier:
1204208
DOI:
https://doi.org/10.17188/1204208

Citation Formats

The Materials Project. Materials Data on Tl(ZnSb)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204208.
The Materials Project. Materials Data on Tl(ZnSb)2 by Materials Project. United States. doi:https://doi.org/10.17188/1204208
The Materials Project. 2020. "Materials Data on Tl(ZnSb)2 by Materials Project". United States. doi:https://doi.org/10.17188/1204208. https://www.osti.gov/servlets/purl/1204208. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1204208,
title = {Materials Data on Tl(ZnSb)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl(ZnSb)2 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional and consists of two Tl ribbons oriented in the (0, 0, 1) direction and one ZnSb framework. In each Tl ribbon, Tl1+ is bonded in a 2-coordinate geometry to two equivalent Tl1+ atoms. Both Tl–Tl bond lengths are 3.74 Å. In the ZnSb framework, Zn2+ is bonded to four equivalent Sb+2.50- atoms to form a mixture of corner and edge-sharing ZnSb4 tetrahedra. There are a spread of Zn–Sb bond distances ranging from 2.67–2.74 Å. Sb+2.50- is bonded to four equivalent Zn2+ atoms to form a mixture of corner and edge-sharing SbZn4 tetrahedra.},
doi = {10.17188/1204208},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}