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Title: Materials Data on MgTl2H12(SO7)2 by Materials Project

Abstract

Mg(H2O)6(TlSO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two magnesium;hexahydrate molecules and one TlSO4 framework. In the TlSO4 framework, Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.81–3.28 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.49 Å) and two longer (1.50 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Tl1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Tl1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Tl1+ and one S6+ atom.

Publication Date:
Other Number(s):
mp-1201988
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; MgTl2H12(SO7)2; H-Mg-O-S-Tl
OSTI Identifier:
1729678
DOI:
https://doi.org/10.17188/1729678

Citation Formats

The Materials Project. Materials Data on MgTl2H12(SO7)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729678.
The Materials Project. Materials Data on MgTl2H12(SO7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1729678
The Materials Project. 2020. "Materials Data on MgTl2H12(SO7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1729678. https://www.osti.gov/servlets/purl/1729678. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1729678,
title = {Materials Data on MgTl2H12(SO7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(H2O)6(TlSO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two magnesium;hexahydrate molecules and one TlSO4 framework. In the TlSO4 framework, Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.81–3.28 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.49 Å) and two longer (1.50 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Tl1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Tl1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Tl1+ and one S6+ atom.},
doi = {10.17188/1729678},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}