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Title: Materials Data on Sm3Hg by Materials Project

Abstract

Sm3Hg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to eight Sm and four equivalent Hg atoms to form distorted SmSm8Hg4 cuboctahedra that share corners with twelve equivalent SmSm8Hg4 cuboctahedra, edges with eight equivalent SmSm8Hg4 cuboctahedra, edges with eight equivalent HgSm12 cuboctahedra, faces with four equivalent HgSm12 cuboctahedra, and faces with ten equivalent SmSm8Hg4 cuboctahedra. There are four shorter (3.40 Å) and four longer (3.49 Å) Sm–Sm bond lengths. All Sm–Hg bond lengths are 3.49 Å. In the second Sm site, Sm is bonded in a distorted square co-planar geometry to eight equivalent Sm and four equivalent Hg atoms. All Sm–Hg bond lengths are 3.40 Å. Hg is bonded to twelve Sm atoms to form HgSm12 cuboctahedra that share corners with four equivalent HgSm12 cuboctahedra, edges with eight equivalent HgSm12 cuboctahedra, edges with sixteen equivalent SmSm8Hg4 cuboctahedra, faces with four equivalent HgSm12 cuboctahedra, and faces with eight equivalent SmSm8Hg4 cuboctahedra.

Publication Date:
Other Number(s):
mp-978795
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; Sm3Hg; Hg-Sm
OSTI Identifier:
1315986
DOI:
10.17188/1315986

Citation Formats

The Materials Project. Materials Data on Sm3Hg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315986.
The Materials Project. Materials Data on Sm3Hg by Materials Project. United States. doi:10.17188/1315986.
The Materials Project. 2020. "Materials Data on Sm3Hg by Materials Project". United States. doi:10.17188/1315986. https://www.osti.gov/servlets/purl/1315986. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1315986,
title = {Materials Data on Sm3Hg by Materials Project},
author = {The Materials Project},
abstractNote = {Sm3Hg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to eight Sm and four equivalent Hg atoms to form distorted SmSm8Hg4 cuboctahedra that share corners with twelve equivalent SmSm8Hg4 cuboctahedra, edges with eight equivalent SmSm8Hg4 cuboctahedra, edges with eight equivalent HgSm12 cuboctahedra, faces with four equivalent HgSm12 cuboctahedra, and faces with ten equivalent SmSm8Hg4 cuboctahedra. There are four shorter (3.40 Å) and four longer (3.49 Å) Sm–Sm bond lengths. All Sm–Hg bond lengths are 3.49 Å. In the second Sm site, Sm is bonded in a distorted square co-planar geometry to eight equivalent Sm and four equivalent Hg atoms. All Sm–Hg bond lengths are 3.40 Å. Hg is bonded to twelve Sm atoms to form HgSm12 cuboctahedra that share corners with four equivalent HgSm12 cuboctahedra, edges with eight equivalent HgSm12 cuboctahedra, edges with sixteen equivalent SmSm8Hg4 cuboctahedra, faces with four equivalent HgSm12 cuboctahedra, and faces with eight equivalent SmSm8Hg4 cuboctahedra.},
doi = {10.17188/1315986},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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