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Title: Materials Data on Hg3Pt by Materials Project

Abstract

PtHg3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pt is bonded to twelve Hg atoms to form PtHg12 cuboctahedra that share corners with four equivalent PtHg12 cuboctahedra, edges with eight equivalent PtHg12 cuboctahedra, edges with sixteen equivalent HgHg8Pt4 cuboctahedra, faces with four equivalent PtHg12 cuboctahedra, and faces with eight equivalent HgHg8Pt4 cuboctahedra. There are four shorter (2.97 Å) and eight longer (3.13 Å) Pt–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Pt and eight Hg atoms to form HgHg8Pt4 cuboctahedra that share corners with twelve equivalent HgHg8Pt4 cuboctahedra, edges with eight equivalent PtHg12 cuboctahedra, edges with eight equivalent HgHg8Pt4 cuboctahedra, faces with four equivalent PtHg12 cuboctahedra, and faces with ten equivalent HgHg8Pt4 cuboctahedra. There are four shorter (2.97 Å) and four longer (3.13 Å) Hg–Hg bond lengths. In the second Hg site, Hg is bonded in a distorted square co-planar geometry to four equivalent Pt and eight equivalent Hg atoms.

Authors:
Publication Date:
Other Number(s):
mp-1184608
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; Hg3Pt; Hg-Pt
OSTI Identifier:
1708292
DOI:
https://doi.org/10.17188/1708292

Citation Formats

The Materials Project. Materials Data on Hg3Pt by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708292.
The Materials Project. Materials Data on Hg3Pt by Materials Project. United States. doi:https://doi.org/10.17188/1708292
The Materials Project. 2020. "Materials Data on Hg3Pt by Materials Project". United States. doi:https://doi.org/10.17188/1708292. https://www.osti.gov/servlets/purl/1708292. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1708292,
title = {Materials Data on Hg3Pt by Materials Project},
author = {The Materials Project},
abstractNote = {PtHg3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pt is bonded to twelve Hg atoms to form PtHg12 cuboctahedra that share corners with four equivalent PtHg12 cuboctahedra, edges with eight equivalent PtHg12 cuboctahedra, edges with sixteen equivalent HgHg8Pt4 cuboctahedra, faces with four equivalent PtHg12 cuboctahedra, and faces with eight equivalent HgHg8Pt4 cuboctahedra. There are four shorter (2.97 Å) and eight longer (3.13 Å) Pt–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Pt and eight Hg atoms to form HgHg8Pt4 cuboctahedra that share corners with twelve equivalent HgHg8Pt4 cuboctahedra, edges with eight equivalent PtHg12 cuboctahedra, edges with eight equivalent HgHg8Pt4 cuboctahedra, faces with four equivalent PtHg12 cuboctahedra, and faces with ten equivalent HgHg8Pt4 cuboctahedra. There are four shorter (2.97 Å) and four longer (3.13 Å) Hg–Hg bond lengths. In the second Hg site, Hg is bonded in a distorted square co-planar geometry to four equivalent Pt and eight equivalent Hg atoms.},
doi = {10.17188/1708292},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}