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Title: Materials Data on HoMn12 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189880· OSTI ID:1189880

HoMn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twenty Mn atoms. There are twelve shorter (3.02 Å) and eight longer (3.15 Å) Ho–Mn bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Ho and ten Mn atoms to form a mixture of distorted edge, corner, and face-sharing MnHo2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.38–2.68 Å. In the second Mn site, Mn is bonded to two equivalent Ho and ten Mn atoms to form a mixture of edge, corner, and face-sharing MnHo2Mn10 cuboctahedra. There are two shorter (2.35 Å) and four longer (2.56 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bonded in a 1-coordinate geometry to one Ho and thirteen Mn atoms. There are one shorter (2.23 Å) and four longer (2.83 Å) Mn–Mn 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:
1189880
Report Number(s):
mp-14015
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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