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Title: Materials Data on La3Hg by Materials Project

Abstract

La3Hg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to eight La and four equivalent Hg atoms to form distorted LaLa8Hg4 cuboctahedra that share corners with twelve equivalent LaLa8Hg4 cuboctahedra, edges with eight equivalent LaLa8Hg4 cuboctahedra, edges with eight equivalent HgLa12 cuboctahedra, faces with four equivalent HgLa12 cuboctahedra, and faces with ten equivalent LaLa8Hg4 cuboctahedra. There are four shorter (3.48 Å) and four longer (3.62 Å) La–La bond lengths. All La–Hg bond lengths are 3.62 Å. In the second La site, La is bonded in a square co-planar geometry to eight equivalent La and four equivalent Hg atoms. All La–Hg bond lengths are 3.48 Å. Hg is bonded to twelve La atoms to form HgLa12 cuboctahedra that share corners with four equivalent HgLa12 cuboctahedra, edges with eight equivalent HgLa12 cuboctahedra, edges with sixteen equivalent LaLa8Hg4 cuboctahedra, faces with four equivalent HgLa12 cuboctahedra, and faces with eight equivalent LaLa8Hg4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1185066
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; La3Hg; Hg-La
OSTI Identifier:
1685127
DOI:
https://doi.org/10.17188/1685127

Citation Formats

The Materials Project. Materials Data on La3Hg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685127.
The Materials Project. Materials Data on La3Hg by Materials Project. United States. doi:https://doi.org/10.17188/1685127
The Materials Project. 2020. "Materials Data on La3Hg by Materials Project". United States. doi:https://doi.org/10.17188/1685127. https://www.osti.gov/servlets/purl/1685127. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685127,
title = {Materials Data on La3Hg by Materials Project},
author = {The Materials Project},
abstractNote = {La3Hg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to eight La and four equivalent Hg atoms to form distorted LaLa8Hg4 cuboctahedra that share corners with twelve equivalent LaLa8Hg4 cuboctahedra, edges with eight equivalent LaLa8Hg4 cuboctahedra, edges with eight equivalent HgLa12 cuboctahedra, faces with four equivalent HgLa12 cuboctahedra, and faces with ten equivalent LaLa8Hg4 cuboctahedra. There are four shorter (3.48 Å) and four longer (3.62 Å) La–La bond lengths. All La–Hg bond lengths are 3.62 Å. In the second La site, La is bonded in a square co-planar geometry to eight equivalent La and four equivalent Hg atoms. All La–Hg bond lengths are 3.48 Å. Hg is bonded to twelve La atoms to form HgLa12 cuboctahedra that share corners with four equivalent HgLa12 cuboctahedra, edges with eight equivalent HgLa12 cuboctahedra, edges with sixteen equivalent LaLa8Hg4 cuboctahedra, faces with four equivalent HgLa12 cuboctahedra, and faces with eight equivalent LaLa8Hg4 cuboctahedra.},
doi = {10.17188/1685127},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}