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Title: Materials Data on Zn2TeWO6 by Materials Project

Abstract

WZn2TeO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. W4+ is bonded to six O2- atoms to form WO6 octahedra that share corners with eight equivalent ZnO4 tetrahedra. There are a spread of W–O bond distances ranging from 1.94–1.98 Å. Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent WO6 octahedra and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–61°. There are a spread of Zn–O bond distances ranging from 2.01–2.12 Å. Te4+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.17 Å) and two longer (2.36 Å) Te–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one W4+, one Zn2+, and one Te4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one W4+, one Zn2+, and one Te4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one W4+ and two equivalent Zn2+ atoms.

Authors:
Publication Date:
Other Number(s):
mvc-5035
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; Zn2TeWO6; O-Te-W-Zn
OSTI Identifier:
1321227
DOI:
https://doi.org/10.17188/1321227

Citation Formats

The Materials Project. Materials Data on Zn2TeWO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1321227.
The Materials Project. Materials Data on Zn2TeWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1321227
The Materials Project. 2020. "Materials Data on Zn2TeWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1321227. https://www.osti.gov/servlets/purl/1321227. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1321227,
title = {Materials Data on Zn2TeWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {WZn2TeO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. W4+ is bonded to six O2- atoms to form WO6 octahedra that share corners with eight equivalent ZnO4 tetrahedra. There are a spread of W–O bond distances ranging from 1.94–1.98 Å. Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent WO6 octahedra and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–61°. There are a spread of Zn–O bond distances ranging from 2.01–2.12 Å. Te4+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.17 Å) and two longer (2.36 Å) Te–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one W4+, one Zn2+, and one Te4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one W4+, one Zn2+, and one Te4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one W4+ and two equivalent Zn2+ atoms.},
doi = {10.17188/1321227},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}