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Title: Materials Data on K2SnHgSe4 by Materials Project

Abstract

K2HgSnSe4 is Hazelwoodite-derived structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are four shorter (3.47 Å) and four longer (3.61 Å) K–Se bond lengths. Hg2+ is bonded to four equivalent Se2- atoms to form distorted HgSe4 tetrahedra that share edges with two equivalent SnSe4 tetrahedra. All Hg–Se bond lengths are 2.77 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share edges with two equivalent HgSe4 tetrahedra. All Sn–Se bond lengths are 2.59 Å. Se2- is bonded in a 6-coordinate geometry to four equivalent K1+, one Hg2+, and one Sn4+ atom.

Publication Date:
Other Number(s):
mp-568968
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; K2SnHgSe4; Hg-K-Se-Sn
OSTI Identifier:
1274850
DOI:
10.17188/1274850

Citation Formats

The Materials Project. Materials Data on K2SnHgSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274850.
The Materials Project. Materials Data on K2SnHgSe4 by Materials Project. United States. doi:10.17188/1274850.
The Materials Project. 2020. "Materials Data on K2SnHgSe4 by Materials Project". United States. doi:10.17188/1274850. https://www.osti.gov/servlets/purl/1274850. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274850,
title = {Materials Data on K2SnHgSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2HgSnSe4 is Hazelwoodite-derived structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are four shorter (3.47 Å) and four longer (3.61 Å) K–Se bond lengths. Hg2+ is bonded to four equivalent Se2- atoms to form distorted HgSe4 tetrahedra that share edges with two equivalent SnSe4 tetrahedra. All Hg–Se bond lengths are 2.77 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share edges with two equivalent HgSe4 tetrahedra. All Sn–Se bond lengths are 2.59 Å. Se2- is bonded in a 6-coordinate geometry to four equivalent K1+, one Hg2+, and one Sn4+ atom.},
doi = {10.17188/1274850},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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