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Title: Materials Data on TeH14C2(NO2)4 by Materials Project

Abstract

(CO(NH2)2)2Te(OH)6 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight urea molecules and four Te(OH)6 clusters. In each Te(OH)6 cluster, there are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There is four shorter (1.94 Å) and two longer (1.98 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond 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. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom.

Publication Date:
Other Number(s):
mp-758675
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; TeH14C2(NO2)4; C-H-N-O-Te
OSTI Identifier:
1291128
DOI:
10.17188/1291128

Citation Formats

The Materials Project. Materials Data on TeH14C2(NO2)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291128.
The Materials Project. Materials Data on TeH14C2(NO2)4 by Materials Project. United States. doi:10.17188/1291128.
The Materials Project. 2020. "Materials Data on TeH14C2(NO2)4 by Materials Project". United States. doi:10.17188/1291128. https://www.osti.gov/servlets/purl/1291128. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1291128,
title = {Materials Data on TeH14C2(NO2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {(CO(NH2)2)2Te(OH)6 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight urea molecules and four Te(OH)6 clusters. In each Te(OH)6 cluster, there are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There is four shorter (1.94 Å) and two longer (1.98 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond 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. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom.},
doi = {10.17188/1291128},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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