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Title: Materials Data on Hg3TeCl4 by Materials Project

Abstract

Hg3TeCl4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 5-coordinate geometry to one Te2- and four Cl1- atoms. The Hg–Te bond length is 2.70 Å. There are a spread of Hg–Cl bond distances ranging from 2.44–3.34 Å. In the second Hg2+ site, Hg2+ is bonded in a 5-coordinate geometry to one Te2- and four Cl1- atoms. The Hg–Te bond length is 2.71 Å. There are a spread of Hg–Cl bond distances ranging from 2.45–3.38 Å. In the third Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to one Te2- and five Cl1- atoms. The Hg–Te bond length is 2.70 Å. There are a spread of Hg–Cl bond distances ranging from 2.41–3.50 Å. Te2- is bonded in a 3-coordinate geometry to three Hg2+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two Hg2+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Hg2+ atoms. In the fourthmore » Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Hg2+ atoms.« less

Publication Date:
Other Number(s):
mp-29102
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; Hg3TeCl4; Cl-Hg-Te
OSTI Identifier:
1203172
DOI:
https://doi.org/10.17188/1203172

Citation Formats

The Materials Project. Materials Data on Hg3TeCl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203172.
The Materials Project. Materials Data on Hg3TeCl4 by Materials Project. United States. doi:https://doi.org/10.17188/1203172
The Materials Project. 2020. "Materials Data on Hg3TeCl4 by Materials Project". United States. doi:https://doi.org/10.17188/1203172. https://www.osti.gov/servlets/purl/1203172. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1203172,
title = {Materials Data on Hg3TeCl4 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg3TeCl4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 5-coordinate geometry to one Te2- and four Cl1- atoms. The Hg–Te bond length is 2.70 Å. There are a spread of Hg–Cl bond distances ranging from 2.44–3.34 Å. In the second Hg2+ site, Hg2+ is bonded in a 5-coordinate geometry to one Te2- and four Cl1- atoms. The Hg–Te bond length is 2.71 Å. There are a spread of Hg–Cl bond distances ranging from 2.45–3.38 Å. In the third Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to one Te2- and five Cl1- atoms. The Hg–Te bond length is 2.70 Å. There are a spread of Hg–Cl bond distances ranging from 2.41–3.50 Å. Te2- is bonded in a 3-coordinate geometry to three Hg2+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two Hg2+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Hg2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Hg2+ atoms.},
doi = {10.17188/1203172},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}