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Title: Materials Data on In2HgS4 by Materials Project

Abstract

HgIn2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent S2- atoms to form HgS4 tetrahedra that share corners with twelve equivalent InS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Hg–S bond lengths are 2.60 Å. In3+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with six equivalent HgS4 tetrahedra and edges with six equivalent InS6 octahedra. All In–S bond lengths are 2.65 Å. S2- is bonded to one Hg2+ and three equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing SIn3Hg trigonal pyramids.

Publication Date:
Other Number(s):
mp-22356
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; In2HgS4; Hg-In-S
OSTI Identifier:
1197583
DOI:
https://doi.org/10.17188/1197583

Citation Formats

The Materials Project. Materials Data on In2HgS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197583.
The Materials Project. Materials Data on In2HgS4 by Materials Project. United States. doi:https://doi.org/10.17188/1197583
The Materials Project. 2020. "Materials Data on In2HgS4 by Materials Project". United States. doi:https://doi.org/10.17188/1197583. https://www.osti.gov/servlets/purl/1197583. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1197583,
title = {Materials Data on In2HgS4 by Materials Project},
author = {The Materials Project},
abstractNote = {HgIn2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent S2- atoms to form HgS4 tetrahedra that share corners with twelve equivalent InS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Hg–S bond lengths are 2.60 Å. In3+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with six equivalent HgS4 tetrahedra and edges with six equivalent InS6 octahedra. All In–S bond lengths are 2.65 Å. S2- is bonded to one Hg2+ and three equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing SIn3Hg trigonal pyramids.},
doi = {10.17188/1197583},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}