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Title: Materials Data on HoMg2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1741138· OSTI ID:1741138

Mg2Ho is Cubic Laves structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Ho atoms to form a mixture of edge, face, and corner-sharing MgHo6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.01 Å. All Mg–Ho bond lengths are 3.53 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Ho atoms to form a mixture of edge, face, and corner-sharing MgHo6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.01 Å. There are two shorter (3.51 Å) and four longer (3.54 Å) Mg–Ho bond lengths. Ho is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Ho atoms. There are one shorter (3.68 Å) and three longer (3.69 Å) Ho–Ho bond lengths.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1741138
Report Number(s):
mp-1184860
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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