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Title: Materials Data on HoCo4Ni by Materials Project

Abstract

HoCo4Ni crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to fifteen Co and three equivalent Ni atoms. There are three shorter (2.83 Å) and twelve longer (3.15 Å) Ho–Co bond lengths. All Ho–Ni bond lengths are 2.83 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Ho, six equivalent Co, and three equivalent Ni atoms to form distorted CoHo3Co6Ni3 cuboctahedra that share corners with nine equivalent NiHo3Co9 cuboctahedra, corners with twelve equivalent CoHo4Co6Ni2 cuboctahedra, edges with six equivalent CoHo3Co6Ni3 cuboctahedra, faces with three equivalent NiHo3Co9 cuboctahedra, and faces with twenty CoHo3Co6Ni3 cuboctahedra. All Co–Co bond lengths are 2.43 Å. All Co–Ni bond lengths are 2.83 Å. In the second Co site, Co is bonded to four equivalent Ho, six Co, and two equivalent Ni atoms to form CoHo4Co6Ni2 cuboctahedra that share corners with four equivalent NiHo3Co9 cuboctahedra, corners with twenty CoHo3Co6Ni3 cuboctahedra, edges with ten equivalent CoHo4Co6Ni2 cuboctahedra, faces with six equivalent NiHo3Co9 cuboctahedra, and faces with sixteen CoHo3Co6Ni3 cuboctahedra. There are two shorter (2.43 Å) and two longer (2.47 Å) Co–Co bond lengths. Both Co–Ni bond lengths are 2.42 Å.more » Ni is bonded to three equivalent Ho and nine Co atoms to form distorted NiHo3Co9 cuboctahedra that share corners with twenty-one CoHo3Co6Ni3 cuboctahedra, edges with six equivalent NiHo3Co9 cuboctahedra, faces with two equivalent NiHo3Co9 cuboctahedra, and faces with twenty-one CoHo3Co6Ni3 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1223872
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; HoCo4Ni; Co-Ho-Ni
OSTI Identifier:
1757628
DOI:
https://doi.org/10.17188/1757628

Citation Formats

The Materials Project. Materials Data on HoCo4Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757628.
The Materials Project. Materials Data on HoCo4Ni by Materials Project. United States. doi:https://doi.org/10.17188/1757628
The Materials Project. 2020. "Materials Data on HoCo4Ni by Materials Project". United States. doi:https://doi.org/10.17188/1757628. https://www.osti.gov/servlets/purl/1757628. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757628,
title = {Materials Data on HoCo4Ni by Materials Project},
author = {The Materials Project},
abstractNote = {HoCo4Ni crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to fifteen Co and three equivalent Ni atoms. There are three shorter (2.83 Å) and twelve longer (3.15 Å) Ho–Co bond lengths. All Ho–Ni bond lengths are 2.83 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Ho, six equivalent Co, and three equivalent Ni atoms to form distorted CoHo3Co6Ni3 cuboctahedra that share corners with nine equivalent NiHo3Co9 cuboctahedra, corners with twelve equivalent CoHo4Co6Ni2 cuboctahedra, edges with six equivalent CoHo3Co6Ni3 cuboctahedra, faces with three equivalent NiHo3Co9 cuboctahedra, and faces with twenty CoHo3Co6Ni3 cuboctahedra. All Co–Co bond lengths are 2.43 Å. All Co–Ni bond lengths are 2.83 Å. In the second Co site, Co is bonded to four equivalent Ho, six Co, and two equivalent Ni atoms to form CoHo4Co6Ni2 cuboctahedra that share corners with four equivalent NiHo3Co9 cuboctahedra, corners with twenty CoHo3Co6Ni3 cuboctahedra, edges with ten equivalent CoHo4Co6Ni2 cuboctahedra, faces with six equivalent NiHo3Co9 cuboctahedra, and faces with sixteen CoHo3Co6Ni3 cuboctahedra. There are two shorter (2.43 Å) and two longer (2.47 Å) Co–Co bond lengths. Both Co–Ni bond lengths are 2.42 Å. Ni is bonded to three equivalent Ho and nine Co atoms to form distorted NiHo3Co9 cuboctahedra that share corners with twenty-one CoHo3Co6Ni3 cuboctahedra, edges with six equivalent NiHo3Co9 cuboctahedra, faces with two equivalent NiHo3Co9 cuboctahedra, and faces with twenty-one CoHo3Co6Ni3 cuboctahedra.},
doi = {10.17188/1757628},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}