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Title: Materials Data on Te4C2S2N(O2F3)2 by Materials Project

Abstract

(Te)4(CF3)2NS2O4 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of sixteen fluoroform molecules, thirty-two tellurium molecules, and eight NS2O4 clusters. In two of the NS2O4 clusters, N3- is bonded in a bent 120 degrees geometry to two equivalent S2- atoms. Both N–S bond lengths are 1.60 Å. S2- is bonded in a 4-coordinate geometry to one N3- and two O2- atoms. Both S–O bond lengths are 1.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom. The O–S bond length is 1.45 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. The O–S bond length is 1.45 Å. In six of the NS2O4 clusters, N3- is bonded in a bent 120 degrees geometry to two equivalent S2- atoms. There is one shorter (1.59 Å) and one longer (1.60 Å) N–S bond length. S2- is bonded in a 4-coordinate geometry to onemore » N3- and two O2- atoms. Both S–O bond lengths are 1.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. The O–S bond length is 1.45 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. The O–S bond length is 1.45 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S2- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1196474
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; Te4C2S2N(O2F3)2; C-F-N-O-S-Te
OSTI Identifier:
1734301
DOI:
https://doi.org/10.17188/1734301

Citation Formats

The Materials Project. Materials Data on Te4C2S2N(O2F3)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1734301.
The Materials Project. Materials Data on Te4C2S2N(O2F3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1734301
The Materials Project. 2019. "Materials Data on Te4C2S2N(O2F3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1734301. https://www.osti.gov/servlets/purl/1734301. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1734301,
title = {Materials Data on Te4C2S2N(O2F3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(Te)4(CF3)2NS2O4 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of sixteen fluoroform molecules, thirty-two tellurium molecules, and eight NS2O4 clusters. In two of the NS2O4 clusters, N3- is bonded in a bent 120 degrees geometry to two equivalent S2- atoms. Both N–S bond lengths are 1.60 Å. S2- is bonded in a 4-coordinate geometry to one N3- and two O2- atoms. Both S–O bond lengths are 1.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom. The O–S bond length is 1.45 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. The O–S bond length is 1.45 Å. In six of the NS2O4 clusters, N3- is bonded in a bent 120 degrees geometry to two equivalent S2- atoms. There is one shorter (1.59 Å) and one longer (1.60 Å) N–S bond length. S2- is bonded in a 4-coordinate geometry to one N3- and two O2- atoms. Both S–O bond lengths are 1.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. The O–S bond length is 1.45 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. The O–S bond length is 1.45 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1734301},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}