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Title: Materials Data on Tl2SbF5 by Materials Project

Abstract

Tl2SbF5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Tl2SbF5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Tl–F bond distances ranging from 3.01–3.43 Å. In the second Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are four shorter (2.74 Å) and one longer (2.89 Å) Tl–F bond lengths. Sb3+ is bonded in a square pyramidal geometry to five F1- atoms. There are one shorter (2.00 Å) and four longer (2.13 Å) Sb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three Tl1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to five Tl1+ and one Sb3+ atom.

Publication Date:
Other Number(s):
mp-1208164
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; Tl2SbF5; F-Sb-Tl
OSTI Identifier:
1749340
DOI:
https://doi.org/10.17188/1749340

Citation Formats

The Materials Project. Materials Data on Tl2SbF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749340.
The Materials Project. Materials Data on Tl2SbF5 by Materials Project. United States. doi:https://doi.org/10.17188/1749340
The Materials Project. 2020. "Materials Data on Tl2SbF5 by Materials Project". United States. doi:https://doi.org/10.17188/1749340. https://www.osti.gov/servlets/purl/1749340. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1749340,
title = {Materials Data on Tl2SbF5 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl2SbF5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Tl2SbF5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Tl–F bond distances ranging from 3.01–3.43 Å. In the second Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are four shorter (2.74 Å) and one longer (2.89 Å) Tl–F bond lengths. Sb3+ is bonded in a square pyramidal geometry to five F1- atoms. There are one shorter (2.00 Å) and four longer (2.13 Å) Sb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three Tl1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to five Tl1+ and one Sb3+ atom.},
doi = {10.17188/1749340},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}