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Title: Materials Data on Tl10Hg3Cl16 by Materials Project

Abstract

Tl10Hg3Cl16 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.37 Å) and four longer (3.11 Å) Hg–Cl bond lengths. In the second Hg2+ site, Hg2+ is bonded in a tetrahedral geometry to four equivalent Cl1- atoms. All Hg–Cl bond lengths are 2.54 Å. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.09–3.67 Å. In the second Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.21–3.64 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Hg2+ and four equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a square pyramidal geometry to five Tl1+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Hg2+ and five Tl1+ atoms. In the fourthmore » Cl1- site, Cl1- is bonded in a 7-coordinate geometry to one Hg2+ and six equivalent Tl1+ atoms.« less

Publication Date:
Other Number(s):
mp-573974
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; Tl10Hg3Cl16; Cl-Hg-Tl
OSTI Identifier:
1276538
DOI:
10.17188/1276538

Citation Formats

The Materials Project. Materials Data on Tl10Hg3Cl16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276538.
The Materials Project. Materials Data on Tl10Hg3Cl16 by Materials Project. United States. doi:10.17188/1276538.
The Materials Project. 2020. "Materials Data on Tl10Hg3Cl16 by Materials Project". United States. doi:10.17188/1276538. https://www.osti.gov/servlets/purl/1276538. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1276538,
title = {Materials Data on Tl10Hg3Cl16 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl10Hg3Cl16 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.37 Å) and four longer (3.11 Å) Hg–Cl bond lengths. In the second Hg2+ site, Hg2+ is bonded in a tetrahedral geometry to four equivalent Cl1- atoms. All Hg–Cl bond lengths are 2.54 Å. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.09–3.67 Å. In the second Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.21–3.64 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Hg2+ and four equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a square pyramidal geometry to five Tl1+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Hg2+ and five Tl1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 7-coordinate geometry to one Hg2+ and six equivalent Tl1+ atoms.},
doi = {10.17188/1276538},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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