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Materials Data on ErOs2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1665483· OSTI ID:1665483
ErOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are a spread of Er–Os bond distances ranging from 3.11–3.14 Å. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent Er3+ and six equivalent Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsEr6Os6 cuboctahedra. All Os–Os bond lengths are 2.71 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Er3+ and six Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsEr6Os6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.76 Å) Os–Os bond lengths.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1665483
Report Number(s):
mp-1102333
Country of Publication:
United States
Language:
English

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