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Title: Materials Data on Cs2Hg3Se4 by Materials Project

Abstract

Cs2Hg3Se4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.75–4.05 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing HgSe4 tetrahedra. All Hg–Se bond lengths are 2.75 Å. In the second Hg2+ site, Hg2+ is bonded to four equivalent Se2- atoms to form a mixture of distorted edge and corner-sharing HgSe4 trigonal pyramids. There are two shorter (2.52 Å) and two longer (3.32 Å) Hg–Se bond lengths. Se2- is bonded in a 2-coordinate geometry to four equivalent Cs1+ and three Hg2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1106156
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cs2Hg3Se4; Cs-Hg-Se
OSTI Identifier:
1753552
DOI:
https://doi.org/10.17188/1753552

Citation Formats

The Materials Project. Materials Data on Cs2Hg3Se4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753552.
The Materials Project. Materials Data on Cs2Hg3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1753552
The Materials Project. 2020. "Materials Data on Cs2Hg3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1753552. https://www.osti.gov/servlets/purl/1753552. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1753552,
title = {Materials Data on Cs2Hg3Se4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Hg3Se4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.75–4.05 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing HgSe4 tetrahedra. All Hg–Se bond lengths are 2.75 Å. In the second Hg2+ site, Hg2+ is bonded to four equivalent Se2- atoms to form a mixture of distorted edge and corner-sharing HgSe4 trigonal pyramids. There are two shorter (2.52 Å) and two longer (3.32 Å) Hg–Se bond lengths. Se2- is bonded in a 2-coordinate geometry to four equivalent Cs1+ and three Hg2+ atoms.},
doi = {10.17188/1753552},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}