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Title: Materials Data on Ho6Mn23 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1281718· OSTI ID:1281718

Ho6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Ho–Mn bond distances ranging from 2.94–3.06 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.54 Å. In the second Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Ho and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.47–2.60 Å. In the third Mn site, Mn is bonded to four equivalent Ho and eight Mn atoms to form a mixture of face and corner-sharing MnHo4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.63 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to three equivalent Ho and ten Mn atoms. All Mn–Mn bond lengths are 2.93 Å.

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:
1281718
Report Number(s):
mp-669648
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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