U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Te6H6S(Cl13O2)2 by Materials Project
Abstract
(H3Te3OCl13)2SO2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two sulfur dioxide molecules and four H3Te3OCl13 clusters. In each H3Te3OCl13 cluster, there are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.02 Å. The H–Cl bond length is 2.06 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.02 Å. There are two inequivalent Te5+ sites. In the first Te5+ site, Te5+ is bonded to six Cl1- atoms to form edge-sharing TeCl6 octahedra. There are a spread of Te–Cl bond distances ranging from 2.36–2.98 Å. In the second Te5+ site, Te5+ is bonded to six Cl1- atoms to form edge-sharing TeCl6 octahedra. There are a spread of Te–Cl bond distances ranging from 2.36–2.99 Å. O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Te5+ atoms. In the second Cl1- site, Cl1- is bonded in a distortedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-676473
- 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; Te6H6S(Cl13O2)2; Cl-H-O-S-Te
- OSTI Identifier:
- 1283067
- DOI:
- https://doi.org/10.17188/1283067
Citation Formats
The Materials Project. Materials Data on Te6H6S(Cl13O2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283067.
The Materials Project. Materials Data on Te6H6S(Cl13O2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1283067
The Materials Project. 2020.
"Materials Data on Te6H6S(Cl13O2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1283067. https://www.osti.gov/servlets/purl/1283067. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1283067,
title = {Materials Data on Te6H6S(Cl13O2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(H3Te3OCl13)2SO2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two sulfur dioxide molecules and four H3Te3OCl13 clusters. In each H3Te3OCl13 cluster, there are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.02 Å. The H–Cl bond length is 2.06 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.02 Å. There are two inequivalent Te5+ sites. In the first Te5+ site, Te5+ is bonded to six Cl1- atoms to form edge-sharing TeCl6 octahedra. There are a spread of Te–Cl bond distances ranging from 2.36–2.98 Å. In the second Te5+ site, Te5+ is bonded to six Cl1- atoms to form edge-sharing TeCl6 octahedra. There are a spread of Te–Cl bond distances ranging from 2.36–2.99 Å. O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Te5+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one H1+ and two Te5+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Te5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te5+ atom. In the fifth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Te5+ atoms. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te5+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Te5+ atom. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te5+ atom.},
doi = {10.17188/1283067},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}