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Title: Materials Data on Mg3TeO6 by Materials Project

Abstract

Mg3TeO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form distorted MgO6 pentagonal pyramids that share corners with two TeO6 octahedra, corners with four equivalent MgO6 pentagonal pyramids, edges with two TeO6 octahedra, and edges with four equivalent MgO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 37–44°. There are a spread of Mg–O bond distances ranging from 2.05–2.30 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 MgO6 pentagonal pyramids and edges with six equivalent MgO6 pentagonal pyramids. All Te–O bond lengths are 1.95 Å. In the second Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent MgO6 pentagonal pyramids and edges with six equivalent MgO6 pentagonal pyramids. All Te–O bond lengths are 1.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mg2+ and one Te6+ atom to form a mixture of distorted edge and corner-sharing OMg3Te tetrahedra. In the secondmore » O2- site, O2- is bonded to three equivalent Mg2+ and one Te6+ atom to form a mixture of distorted edge and corner-sharing OMg3Te trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-3118
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; Mg3TeO6; Mg-O-Te
OSTI Identifier:
1205484
DOI:
10.17188/1205484

Citation Formats

The Materials Project. Materials Data on Mg3TeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205484.
The Materials Project. Materials Data on Mg3TeO6 by Materials Project. United States. doi:10.17188/1205484.
The Materials Project. 2020. "Materials Data on Mg3TeO6 by Materials Project". United States. doi:10.17188/1205484. https://www.osti.gov/servlets/purl/1205484. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1205484,
title = {Materials Data on Mg3TeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3TeO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form distorted MgO6 pentagonal pyramids that share corners with two TeO6 octahedra, corners with four equivalent MgO6 pentagonal pyramids, edges with two TeO6 octahedra, and edges with four equivalent MgO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 37–44°. There are a spread of Mg–O bond distances ranging from 2.05–2.30 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 MgO6 pentagonal pyramids and edges with six equivalent MgO6 pentagonal pyramids. All Te–O bond lengths are 1.95 Å. In the second Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent MgO6 pentagonal pyramids and edges with six equivalent MgO6 pentagonal pyramids. All Te–O bond lengths are 1.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mg2+ and one Te6+ atom to form a mixture of distorted edge and corner-sharing OMg3Te tetrahedra. In the second O2- site, O2- is bonded to three equivalent Mg2+ and one Te6+ atom to form a mixture of distorted edge and corner-sharing OMg3Te trigonal pyramids.},
doi = {10.17188/1205484},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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