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Title: Materials Data on In2TeO6 by Materials Project

Abstract

In2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with four equivalent TeO6 octahedra, corners with six equivalent InO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–55°. There are a spread of In–O bond distances ranging from 2.17–2.25 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with six equivalent InO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. There are a spread of In–O bond distances ranging from 2.14–2.24 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent InO6 octahedra and edges with three equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Te–O bond lengths are 1.95 Å. In the second Te6+ site, Te6+ is bonded to six O2- atomsmore » to form TeO6 octahedra that share corners with six equivalent InO6 octahedra and edges with three equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. All Te–O bond lengths are 1.96 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two In3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two In3+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two In3+ and one Te6+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-504908
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; In2TeO6; In-O-Te
OSTI Identifier:
1262125
DOI:
10.17188/1262125

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on In2TeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262125.
Persson, Kristin, & Project, Materials. Materials Data on In2TeO6 by Materials Project. United States. doi:10.17188/1262125.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on In2TeO6 by Materials Project". United States. doi:10.17188/1262125. https://www.osti.gov/servlets/purl/1262125. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1262125,
title = {Materials Data on In2TeO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {In2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with four equivalent TeO6 octahedra, corners with six equivalent InO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–55°. There are a spread of In–O bond distances ranging from 2.17–2.25 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with six equivalent InO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. There are a spread of In–O bond distances ranging from 2.14–2.24 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent InO6 octahedra and edges with three equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Te–O bond lengths are 1.95 Å. In the second Te6+ site, Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent InO6 octahedra and edges with three equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. All Te–O bond lengths are 1.96 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two In3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two In3+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two In3+ and one Te6+ atom.},
doi = {10.17188/1262125},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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