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Title: Materials Data on TaTl3S4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1290442· OSTI ID:1290442

Tl3TaS4 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two Tl3TaS4 frameworks. Ta5+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Ta–S bond lengths are 2.29 Å. Tl1+ is bonded in a 12-coordinate geometry to four equivalent S2- atoms. All Tl–S bond lengths are 3.20 Å. S2- is bonded in a distorted single-bond geometry to one Ta5+ and three equivalent Tl1+ atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1290442
Report Number(s):
mp-7562
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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