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Title: Materials Data on Tl2Te2O5 by Materials Project

Abstract

Tl2Te2O5 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Tl2Te2O5 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.67–3.34 Å. In the second Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.59–2.91 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.31 Å. In the second Te4+ site, Te4+ is bonded to five O2- atoms to form distorted edge-sharing TeO5 square pyramids. There are a spread of Te–O bond distances ranging from 1.93–2.58 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tl1+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Tl1+ and one Te4+ atom. Inmore » the third O2- site, O2- is bonded in a 1-coordinate geometry to two Tl1+ and two Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Tl1+ and two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tl1+ and two Te4+ atoms.« less

Publication Date:
Other Number(s):
mp-29690
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; Tl2Te2O5; O-Te-Tl
OSTI Identifier:
1204169
DOI:
https://doi.org/10.17188/1204169

Citation Formats

The Materials Project. Materials Data on Tl2Te2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204169.
The Materials Project. Materials Data on Tl2Te2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1204169
The Materials Project. 2020. "Materials Data on Tl2Te2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1204169. https://www.osti.gov/servlets/purl/1204169. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1204169,
title = {Materials Data on Tl2Te2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl2Te2O5 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Tl2Te2O5 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.67–3.34 Å. In the second Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.59–2.91 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.31 Å. In the second Te4+ site, Te4+ is bonded to five O2- atoms to form distorted edge-sharing TeO5 square pyramids. There are a spread of Te–O bond distances ranging from 1.93–2.58 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tl1+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Tl1+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Tl1+ and two Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Tl1+ and two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tl1+ and two Te4+ atoms.},
doi = {10.17188/1204169},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}