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Title: Materials Data on Te(HO)6 by Materials Project

Abstract

Te(OH)6 crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of two Te(OH)6 sheets oriented in the (0, 0, 1) direction. 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 0.99 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.70 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.52 Å) H–O bond length. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.84–2.12 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent 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 3-coordinate geometrymore » to two H1+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent H1+ and one Te6+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-625941
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(HO)6; H-O-Te
OSTI Identifier:
1278518
DOI:
10.17188/1278518

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Te(HO)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278518.
Persson, Kristin, & Project, Materials. Materials Data on Te(HO)6 by Materials Project. United States. doi:10.17188/1278518.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Te(HO)6 by Materials Project". United States. doi:10.17188/1278518. https://www.osti.gov/servlets/purl/1278518. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1278518,
title = {Materials Data on Te(HO)6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Te(OH)6 crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of two Te(OH)6 sheets oriented in the (0, 0, 1) direction. 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 0.99 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.70 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.52 Å) H–O bond length. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.84–2.12 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent 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 3-coordinate geometry to two H1+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent H1+ and one Te6+ atom.},
doi = {10.17188/1278518},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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