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Title: Materials Data on ZnTe2O5 by Materials Project

Abstract

ZnTe2O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share edges with two equivalent ZnO6 octahedra and an edgeedge with one TeO5 square pyramid. There are a spread of Zn–O bond distances ranging from 2.08–2.22 Å. There are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to five O2- atoms to form distorted TeO5 square pyramids that share edges with two equivalent ZnO6 octahedra. There are a spread of Te–O bond distances ranging from 1.91–2.27 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.53 Å. In the third Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is two shorter (1.91 Å) and one longer (1.92 Å) Te–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te4+ atoms. In the thirdmore » O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Zn2+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zn2+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two Te4+ atoms.« less

Publication Date:
Other Number(s):
mp-779552
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:
1306430
DOI:
10.17188/1306430

Citation Formats

The Materials Project. Materials Data on ZnTe2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1306430.
The Materials Project. Materials Data on ZnTe2O5 by Materials Project. United States. doi:10.17188/1306430.
The Materials Project. 2020. "Materials Data on ZnTe2O5 by Materials Project". United States. doi:10.17188/1306430. https://www.osti.gov/servlets/purl/1306430. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1306430,
title = {Materials Data on ZnTe2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnTe2O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share edges with two equivalent ZnO6 octahedra and an edgeedge with one TeO5 square pyramid. There are a spread of Zn–O bond distances ranging from 2.08–2.22 Å. There are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to five O2- atoms to form distorted TeO5 square pyramids that share edges with two equivalent ZnO6 octahedra. There are a spread of Te–O bond distances ranging from 1.91–2.27 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.53 Å. In the third Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is two shorter (1.91 Å) and one longer (1.92 Å) Te–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te4+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Zn2+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zn2+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two Te4+ atoms.},
doi = {10.17188/1306430},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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