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Title: Materials Data on Tl2Fe3S4 by Materials Project

Abstract

Fe3Tl2S4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing FeS4 tetrahedra. All Fe–S bond lengths are 2.22 Å. In the second Fe2+ site, Fe2+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing FeS4 tetrahedra. There are two shorter (2.16 Å) and two longer (2.17 Å) Fe–S bond lengths. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. There are a spread of Tl–S bond distances ranging from 3.30–3.43 Å. S2- is bonded in a 3-coordinate geometry to three Fe2+ and four equivalent Tl1+ atoms.

Publication Date:
Other Number(s):
mp-17488
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; Tl2Fe3S4; Fe-S-Tl
OSTI Identifier:
1192532
DOI:
https://doi.org/10.17188/1192532

Citation Formats

The Materials Project. Materials Data on Tl2Fe3S4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192532.
The Materials Project. Materials Data on Tl2Fe3S4 by Materials Project. United States. doi:https://doi.org/10.17188/1192532
The Materials Project. 2020. "Materials Data on Tl2Fe3S4 by Materials Project". United States. doi:https://doi.org/10.17188/1192532. https://www.osti.gov/servlets/purl/1192532. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1192532,
title = {Materials Data on Tl2Fe3S4 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe3Tl2S4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing FeS4 tetrahedra. All Fe–S bond lengths are 2.22 Å. In the second Fe2+ site, Fe2+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing FeS4 tetrahedra. There are two shorter (2.16 Å) and two longer (2.17 Å) Fe–S bond lengths. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. There are a spread of Tl–S bond distances ranging from 3.30–3.43 Å. S2- is bonded in a 3-coordinate geometry to three Fe2+ and four equivalent Tl1+ atoms.},
doi = {10.17188/1192532},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}