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Materials Data on YbOs2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1651984· OSTI ID:1651984
YbOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are nine shorter (3.11 Å) and three longer (3.12 Å) Yb–Os bond lengths. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent Yb3+ and six equivalent Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsYb6Os6 cuboctahedra. All Os–Os bond lengths are 2.70 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Yb3+ and six Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsYb6Os6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.74 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:
1651984
Report Number(s):
mp-1095482
Country of Publication:
United States
Language:
English

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