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Title: Materials Data on HoAlNi4 by Materials Project

Abstract

HoNi4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to fifteen Ni and three equivalent Al atoms. There are three shorter (2.90 Å) and twelve longer (3.16 Å) Ho–Ni bond lengths. All Ho–Al bond lengths are 2.90 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Ho, six equivalent Ni, and three equivalent Al atoms to form NiHo3Al3Ni6 cuboctahedra that share corners with nine equivalent AlHo3Ni9 cuboctahedra, corners with twelve equivalent NiHo4Al2Ni6 cuboctahedra, edges with six equivalent NiHo3Al3Ni6 cuboctahedra, faces with three equivalent AlHo3Ni9 cuboctahedra, and faces with twenty NiHo3Al3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.40 Å. All Ni–Al bond lengths are 2.90 Å. In the second Ni site, Ni is bonded to four equivalent Ho, six Ni, and two equivalent Al atoms to form distorted NiHo4Al2Ni6 cuboctahedra that share corners with four equivalent AlHo3Ni9 cuboctahedra, corners with twenty NiHo3Al3Ni6 cuboctahedra, edges with ten equivalent NiHo4Al2Ni6 cuboctahedra, faces with six equivalent AlHo3Ni9 cuboctahedra, and faces with sixteen NiHo3Al3Ni6 cuboctahedra. There are two shorter (2.48 Å) and two longer (2.54 Å) Ni–Ni bond lengths. Both Ni–Al bond lengths are 2.42 Å.more » Al is bonded to three equivalent Ho and nine Ni atoms to form distorted AlHo3Ni9 cuboctahedra that share corners with twenty-one NiHo3Al3Ni6 cuboctahedra, edges with six equivalent AlHo3Ni9 cuboctahedra, faces with two equivalent AlHo3Ni9 cuboctahedra, and faces with twenty-one NiHo3Al3Ni6 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1224123
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; HoAlNi4; Al-Ho-Ni
OSTI Identifier:
1751758
DOI:
https://doi.org/10.17188/1751758

Citation Formats

The Materials Project. Materials Data on HoAlNi4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751758.
The Materials Project. Materials Data on HoAlNi4 by Materials Project. United States. doi:https://doi.org/10.17188/1751758
The Materials Project. 2020. "Materials Data on HoAlNi4 by Materials Project". United States. doi:https://doi.org/10.17188/1751758. https://www.osti.gov/servlets/purl/1751758. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1751758,
title = {Materials Data on HoAlNi4 by Materials Project},
author = {The Materials Project},
abstractNote = {HoNi4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to fifteen Ni and three equivalent Al atoms. There are three shorter (2.90 Å) and twelve longer (3.16 Å) Ho–Ni bond lengths. All Ho–Al bond lengths are 2.90 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Ho, six equivalent Ni, and three equivalent Al atoms to form NiHo3Al3Ni6 cuboctahedra that share corners with nine equivalent AlHo3Ni9 cuboctahedra, corners with twelve equivalent NiHo4Al2Ni6 cuboctahedra, edges with six equivalent NiHo3Al3Ni6 cuboctahedra, faces with three equivalent AlHo3Ni9 cuboctahedra, and faces with twenty NiHo3Al3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.40 Å. All Ni–Al bond lengths are 2.90 Å. In the second Ni site, Ni is bonded to four equivalent Ho, six Ni, and two equivalent Al atoms to form distorted NiHo4Al2Ni6 cuboctahedra that share corners with four equivalent AlHo3Ni9 cuboctahedra, corners with twenty NiHo3Al3Ni6 cuboctahedra, edges with ten equivalent NiHo4Al2Ni6 cuboctahedra, faces with six equivalent AlHo3Ni9 cuboctahedra, and faces with sixteen NiHo3Al3Ni6 cuboctahedra. There are two shorter (2.48 Å) and two longer (2.54 Å) Ni–Ni bond lengths. Both Ni–Al bond lengths are 2.42 Å. Al is bonded to three equivalent Ho and nine Ni atoms to form distorted AlHo3Ni9 cuboctahedra that share corners with twenty-one NiHo3Al3Ni6 cuboctahedra, edges with six equivalent AlHo3Ni9 cuboctahedra, faces with two equivalent AlHo3Ni9 cuboctahedra, and faces with twenty-one NiHo3Al3Ni6 cuboctahedra.},
doi = {10.17188/1751758},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}