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Title: Materials Data on ZnTe2O5 by Materials Project

Abstract

ZnTe2O5 crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.06 Å) and two longer (2.48 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.22 Å) and four longer (2.39 Å) Zn–O bond lengths. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.24 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Zn2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Zn2+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Zn2+ and one Te4+ atom.

Publication Date:
Other Number(s):
mp-779698
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; ZnTe2O5; O-Te-Zn
OSTI Identifier:
1306456
DOI:
10.17188/1306456

Citation Formats

The Materials Project. Materials Data on ZnTe2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1306456.
The Materials Project. Materials Data on ZnTe2O5 by Materials Project. United States. doi:10.17188/1306456.
The Materials Project. 2020. "Materials Data on ZnTe2O5 by Materials Project". United States. doi:10.17188/1306456. https://www.osti.gov/servlets/purl/1306456. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1306456,
title = {Materials Data on ZnTe2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnTe2O5 crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.06 Å) and two longer (2.48 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.22 Å) and four longer (2.39 Å) Zn–O bond lengths. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.24 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Zn2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Zn2+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Zn2+ and one Te4+ atom.},
doi = {10.17188/1306456},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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