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Title: Materials Data on TlIn3 by Materials Project

Abstract

Tl(In)3 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one In sheet oriented in the (0, 0, 1) direction and one Tl sheet oriented in the (0, 0, 1) direction. In the In sheet, there are two inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to eight In atoms. There are four shorter (3.29 Å) and four longer (3.37 Å) In–In bond lengths. In the second In site, In is bonded to twelve In atoms to form a mixture of corner and face-sharing InIn12 cuboctahedra. All In–In bond lengths are 3.29 Å. In the Tl sheet, Tl is bonded in a square co-planar geometry to four equivalent Tl atoms. All Tl–Tl bond lengths are 3.29 Å.

Authors:
Publication Date:
Other Number(s):
mp-1216611
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; TlIn3; In-Tl
OSTI Identifier:
1731294
DOI:
https://doi.org/10.17188/1731294

Citation Formats

The Materials Project. Materials Data on TlIn3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731294.
The Materials Project. Materials Data on TlIn3 by Materials Project. United States. doi:https://doi.org/10.17188/1731294
The Materials Project. 2020. "Materials Data on TlIn3 by Materials Project". United States. doi:https://doi.org/10.17188/1731294. https://www.osti.gov/servlets/purl/1731294. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1731294,
title = {Materials Data on TlIn3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl(In)3 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one In sheet oriented in the (0, 0, 1) direction and one Tl sheet oriented in the (0, 0, 1) direction. In the In sheet, there are two inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to eight In atoms. There are four shorter (3.29 Å) and four longer (3.37 Å) In–In bond lengths. In the second In site, In is bonded to twelve In atoms to form a mixture of corner and face-sharing InIn12 cuboctahedra. All In–In bond lengths are 3.29 Å. In the Tl sheet, Tl is bonded in a square co-planar geometry to four equivalent Tl atoms. All Tl–Tl bond lengths are 3.29 Å.},
doi = {10.17188/1731294},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}