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Title: Materials Data on Al2HgSe4 by Materials Project

Abstract

HgAl2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with twelve equivalent AlSe6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Hg–Se bond lengths are 2.66 Å. Al3+ is bonded to six equivalent Se2- atoms to form AlSe6 octahedra that share corners with six equivalent HgSe4 tetrahedra and edges with six equivalent AlSe6 octahedra. All Al–Se bond lengths are 2.60 Å. Se2- is bonded to one Hg2+ and three equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing SeAl3Hg tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1103510
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; Al2HgSe4; Al-Hg-Se
OSTI Identifier:
1758614
DOI:
https://doi.org/10.17188/1758614

Citation Formats

The Materials Project. Materials Data on Al2HgSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758614.
The Materials Project. Materials Data on Al2HgSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1758614
The Materials Project. 2020. "Materials Data on Al2HgSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1758614. https://www.osti.gov/servlets/purl/1758614. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758614,
title = {Materials Data on Al2HgSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {HgAl2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with twelve equivalent AlSe6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Hg–Se bond lengths are 2.66 Å. Al3+ is bonded to six equivalent Se2- atoms to form AlSe6 octahedra that share corners with six equivalent HgSe4 tetrahedra and edges with six equivalent AlSe6 octahedra. All Al–Se bond lengths are 2.60 Å. Se2- is bonded to one Hg2+ and three equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing SeAl3Hg tetrahedra.},
doi = {10.17188/1758614},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}