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Title: Materials Data on TeH3N(OF)2 by Materials Project

Abstract

NH3Te(OF)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two NH3Te(OF)2 clusters. N3- is bonded in a bent 120 degrees geometry to two H1+ atoms. Both N–H bond lengths are 1.06 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to one N3- and one F1- atom. The H–F bond length is 1.57 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. Te6+ is bonded in a rectangular see-saw-like geometry to two O2- and two F1- atoms. There is one shorter (1.90 Å) and one longer (1.94 Å) Te–O bond length. There are one shorter (2.00 Å) and one longer (2.11 Å) Te–F bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distortedmore » bent 120 degrees geometry to one H1+ and one Te6+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one H1+ and one Te6+ atom.« less

Publication Date:
Other Number(s):
mp-1198846
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; TeH3N(OF)2; F-H-N-O-Te
OSTI Identifier:
1655944
DOI:
https://doi.org/10.17188/1655944

Citation Formats

The Materials Project. Materials Data on TeH3N(OF)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1655944.
The Materials Project. Materials Data on TeH3N(OF)2 by Materials Project. United States. doi:https://doi.org/10.17188/1655944
The Materials Project. 2019. "Materials Data on TeH3N(OF)2 by Materials Project". United States. doi:https://doi.org/10.17188/1655944. https://www.osti.gov/servlets/purl/1655944. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1655944,
title = {Materials Data on TeH3N(OF)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NH3Te(OF)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two NH3Te(OF)2 clusters. N3- is bonded in a bent 120 degrees geometry to two H1+ atoms. Both N–H bond lengths are 1.06 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to one N3- and one F1- atom. The H–F bond length is 1.57 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. Te6+ is bonded in a rectangular see-saw-like geometry to two O2- and two F1- atoms. There is one shorter (1.90 Å) and one longer (1.94 Å) Te–O bond length. There are one shorter (2.00 Å) and one longer (2.11 Å) Te–F bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Te6+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one H1+ and one Te6+ atom.},
doi = {10.17188/1655944},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}