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Title: Materials Data on Tl6Si2O7 by Materials Project

Abstract

Tl6Si2O7 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.37–2.90 Å. In the second Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.48–3.04 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Si–O bond lengths are 1.60 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. All Si–O bond lengths are 1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Tl1+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Tl1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted tetrahedral geometry to three equivalent Tl1+ and one Si4+ atom.

Publication Date:
Other Number(s):
mp-1216932
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; Tl6Si2O7; O-Si-Tl
OSTI Identifier:
1759501
DOI:
https://doi.org/10.17188/1759501

Citation Formats

The Materials Project. Materials Data on Tl6Si2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759501.
The Materials Project. Materials Data on Tl6Si2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1759501
The Materials Project. 2020. "Materials Data on Tl6Si2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1759501. https://www.osti.gov/servlets/purl/1759501. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759501,
title = {Materials Data on Tl6Si2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl6Si2O7 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.37–2.90 Å. In the second Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.48–3.04 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Si–O bond lengths are 1.60 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. All Si–O bond lengths are 1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Tl1+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Tl1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted tetrahedral geometry to three equivalent Tl1+ and one Si4+ atom.},
doi = {10.17188/1759501},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}