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Title: Materials Data on Te(HO2)2 by Materials Project

Abstract

Te(HO2)2 crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of one Te(HO2)2 sheet oriented in the (0, 0, 1) direction. there are two 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Te6+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–45°. There is four shorter (1.95 Å) and two longer (1.96 Å) Te–O bond length. There are four 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 water-like geometry to one H1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te6+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-625526
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; Te(HO2)2; H-O-Te
OSTI Identifier:
1278409
DOI:
10.17188/1278409

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Te(HO2)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1278409.
Persson, Kristin, & Project, Materials. Materials Data on Te(HO2)2 by Materials Project. United States. doi:10.17188/1278409.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Te(HO2)2 by Materials Project". United States. doi:10.17188/1278409. https://www.osti.gov/servlets/purl/1278409. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1278409,
title = {Materials Data on Te(HO2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Te(HO2)2 crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of one Te(HO2)2 sheet oriented in the (0, 0, 1) direction. there are two 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Te6+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–45°. There is four shorter (1.95 Å) and two longer (1.96 Å) Te–O bond length. There are four 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 water-like geometry to one H1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te6+ atoms.},
doi = {10.17188/1278409},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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