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DOE OSTI · 1275847

Materials Data on YOs2 by Materials Project

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Abstract

YOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are nine shorter (3.13 Å) and three longer (3.15 Å) Y–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 Y3+ and six equivalent Os+1.50- atoms to form a mixture of face, edge, and corner-sharing OsY6Os6 cuboctahedra. All Os–Os bond lengths are 2.73 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Y3+ and six Os+1.50- atoms to form a mixture of face, edge, and corner-sharing OsY6Os6 cuboctahedra. There are two shorter (2.58 Å) and two longer (2.76 Å) Os–Os bond lengths.

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36 MATERIALS SCIENCEcrystal structureOs-YYOs2

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2020-07-16. Materials Data on YOs2 by Materials Project. https://doi.org/10.17188/1275847

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