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Title: Materials Data on Ga3Hg by Materials Project

Abstract

HgGa3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hg is bonded to twelve Ga atoms to form HgGa12 cuboctahedra that share corners with four equivalent HgGa12 cuboctahedra, edges with eight equivalent HgGa12 cuboctahedra, edges with sixteen equivalent GaGa8Hg4 cuboctahedra, faces with four equivalent HgGa12 cuboctahedra, and faces with eight equivalent GaGa8Hg4 cuboctahedra. There are four shorter (3.00 Å) and eight longer (3.15 Å) Hg–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Hg and eight Ga atoms to form distorted GaGa8Hg4 cuboctahedra that share corners with twelve equivalent GaGa8Hg4 cuboctahedra, edges with eight equivalent HgGa12 cuboctahedra, edges with eight equivalent GaGa8Hg4 cuboctahedra, faces with four equivalent HgGa12 cuboctahedra, and faces with ten equivalent GaGa8Hg4 cuboctahedra. There are four shorter (3.00 Å) and four longer (3.15 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a square co-planar geometry to four equivalent Hg and eight equivalent Ga atoms.

Authors:
Publication Date:
Other Number(s):
mp-1184268
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; Ga3Hg; Ga-Hg
OSTI Identifier:
1672909
DOI:
https://doi.org/10.17188/1672909

Citation Formats

The Materials Project. Materials Data on Ga3Hg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672909.
The Materials Project. Materials Data on Ga3Hg by Materials Project. United States. doi:https://doi.org/10.17188/1672909
The Materials Project. 2020. "Materials Data on Ga3Hg by Materials Project". United States. doi:https://doi.org/10.17188/1672909. https://www.osti.gov/servlets/purl/1672909. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1672909,
title = {Materials Data on Ga3Hg by Materials Project},
author = {The Materials Project},
abstractNote = {HgGa3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hg is bonded to twelve Ga atoms to form HgGa12 cuboctahedra that share corners with four equivalent HgGa12 cuboctahedra, edges with eight equivalent HgGa12 cuboctahedra, edges with sixteen equivalent GaGa8Hg4 cuboctahedra, faces with four equivalent HgGa12 cuboctahedra, and faces with eight equivalent GaGa8Hg4 cuboctahedra. There are four shorter (3.00 Å) and eight longer (3.15 Å) Hg–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Hg and eight Ga atoms to form distorted GaGa8Hg4 cuboctahedra that share corners with twelve equivalent GaGa8Hg4 cuboctahedra, edges with eight equivalent HgGa12 cuboctahedra, edges with eight equivalent GaGa8Hg4 cuboctahedra, faces with four equivalent HgGa12 cuboctahedra, and faces with ten equivalent GaGa8Hg4 cuboctahedra. There are four shorter (3.00 Å) and four longer (3.15 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a square co-planar geometry to four equivalent Hg and eight equivalent Ga atoms.},
doi = {10.17188/1672909},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}