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Title: Materials Data on SbTe2F6 by Materials Project

Abstract

SbTe2F6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one SbTe2F6 ribbon oriented in the (0, 1, 0) direction. Sb2- is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.95 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 1-coordinate geometry to two equivalent Te4+ and two F1- atoms. There are one shorter (2.71 Å) and one longer (2.72 Å) Te–Te bond lengths. There are one shorter (2.80 Å) and one longer (3.00 Å) Te–F bond lengths. In the second Te4+ site, Te4+ is bonded in a 2-coordinate geometry to two equivalent Te4+ atoms. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb2- and one Te4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the fifth F1- site, F1- is bondedmore » in a single-bond geometry to one Sb2- atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb2- and one Te4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-754462
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; SbTe2F6; F-Sb-Te
OSTI Identifier:
1289434
DOI:
https://doi.org/10.17188/1289434

Citation Formats

The Materials Project. Materials Data on SbTe2F6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289434.
The Materials Project. Materials Data on SbTe2F6 by Materials Project. United States. doi:https://doi.org/10.17188/1289434
The Materials Project. 2020. "Materials Data on SbTe2F6 by Materials Project". United States. doi:https://doi.org/10.17188/1289434. https://www.osti.gov/servlets/purl/1289434. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1289434,
title = {Materials Data on SbTe2F6 by Materials Project},
author = {The Materials Project},
abstractNote = {SbTe2F6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one SbTe2F6 ribbon oriented in the (0, 1, 0) direction. Sb2- is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.95 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 1-coordinate geometry to two equivalent Te4+ and two F1- atoms. There are one shorter (2.71 Å) and one longer (2.72 Å) Te–Te bond lengths. There are one shorter (2.80 Å) and one longer (3.00 Å) Te–F bond lengths. In the second Te4+ site, Te4+ is bonded in a 2-coordinate geometry to two equivalent Te4+ atoms. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb2- and one Te4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb2- atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb2- and one Te4+ atom.},
doi = {10.17188/1289434},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}