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Title: Materials Data on Ho3Pb by Materials Project

Abstract

Ho3Pb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Pb atoms to form distorted HoHo8Pb4 cuboctahedra that share corners with twelve equivalent HoHo8Pb4 cuboctahedra, edges with eight equivalent HoHo8Pb4 cuboctahedra, edges with eight equivalent PbHo12 cuboctahedra, faces with four equivalent PbHo12 cuboctahedra, and faces with ten equivalent HoHo8Pb4 cuboctahedra. There are four shorter (3.32 Å) and four longer (3.52 Å) Ho–Ho bond lengths. All Ho–Pb bond lengths are 3.52 Å. In the second Ho site, Ho is bonded in a square co-planar geometry to eight equivalent Ho and four equivalent Pb atoms. All Ho–Pb bond lengths are 3.32 Å. Pb is bonded to twelve Ho atoms to form PbHo12 cuboctahedra that share corners with four equivalent PbHo12 cuboctahedra, edges with eight equivalent PbHo12 cuboctahedra, edges with sixteen equivalent HoHo8Pb4 cuboctahedra, faces with four equivalent PbHo12 cuboctahedra, and faces with eight equivalent HoHo8Pb4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-973992
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; Ho3Pb; Ho-Pb
OSTI Identifier:
1314388
DOI:
https://doi.org/10.17188/1314388

Citation Formats

The Materials Project. Materials Data on Ho3Pb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314388.
The Materials Project. Materials Data on Ho3Pb by Materials Project. United States. doi:https://doi.org/10.17188/1314388
The Materials Project. 2020. "Materials Data on Ho3Pb by Materials Project". United States. doi:https://doi.org/10.17188/1314388. https://www.osti.gov/servlets/purl/1314388. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1314388,
title = {Materials Data on Ho3Pb by Materials Project},
author = {The Materials Project},
abstractNote = {Ho3Pb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Pb atoms to form distorted HoHo8Pb4 cuboctahedra that share corners with twelve equivalent HoHo8Pb4 cuboctahedra, edges with eight equivalent HoHo8Pb4 cuboctahedra, edges with eight equivalent PbHo12 cuboctahedra, faces with four equivalent PbHo12 cuboctahedra, and faces with ten equivalent HoHo8Pb4 cuboctahedra. There are four shorter (3.32 Å) and four longer (3.52 Å) Ho–Ho bond lengths. All Ho–Pb bond lengths are 3.52 Å. In the second Ho site, Ho is bonded in a square co-planar geometry to eight equivalent Ho and four equivalent Pb atoms. All Ho–Pb bond lengths are 3.32 Å. Pb is bonded to twelve Ho atoms to form PbHo12 cuboctahedra that share corners with four equivalent PbHo12 cuboctahedra, edges with eight equivalent PbHo12 cuboctahedra, edges with sixteen equivalent HoHo8Pb4 cuboctahedra, faces with four equivalent PbHo12 cuboctahedra, and faces with eight equivalent HoHo8Pb4 cuboctahedra.},
doi = {10.17188/1314388},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}