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Title: Materials Data on TcSb(OF4)2 by Materials Project

Abstract

TcSb(OF4)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two TcSb(OF4)2 ribbons oriented in the (0, 1, 0) direction. Tc7+ is bonded in a 6-coordinate geometry to two O2- and four F1- atoms. Both Tc–O bond lengths are 1.68 Å. There are a spread of Tc–F bond distances ranging from 1.84–2.28 Å. Sb5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Tc7+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Tc7+ atom. In the fifth F1- site, F1- is bonded in a single-bondmore » geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a distorted linear geometry to one Tc7+ and one Sb5+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Tc7+ and one Sb5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.« less

Publication Date:
Other Number(s):
mp-555059
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; TcSb(OF4)2; F-O-Sb-Tc
OSTI Identifier:
1268600
DOI:
10.17188/1268600

Citation Formats

The Materials Project. Materials Data on TcSb(OF4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268600.
The Materials Project. Materials Data on TcSb(OF4)2 by Materials Project. United States. doi:10.17188/1268600.
The Materials Project. 2020. "Materials Data on TcSb(OF4)2 by Materials Project". United States. doi:10.17188/1268600. https://www.osti.gov/servlets/purl/1268600. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1268600,
title = {Materials Data on TcSb(OF4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {TcSb(OF4)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two TcSb(OF4)2 ribbons oriented in the (0, 1, 0) direction. Tc7+ is bonded in a 6-coordinate geometry to two O2- and four F1- atoms. Both Tc–O bond lengths are 1.68 Å. There are a spread of Tc–F bond distances ranging from 1.84–2.28 Å. Sb5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Tc7+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Tc7+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a distorted linear geometry to one Tc7+ and one Sb5+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Tc7+ and one Sb5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.},
doi = {10.17188/1268600},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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