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DOE OSTI · 1275412

Materials Data on SmOs2 by Materials Project

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Abstract

SmOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are a spread of Sm–Os bond distances ranging from 3.14–3.21 Å. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent Sm3+ and six equivalent Os+1.50- atoms to form a mixture of face, edge, and corner-sharing OsSm6Os6 cuboctahedra. All Os–Os bond lengths are 2.76 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Sm3+ and six Os+1.50- atoms to form a mixture of face, edge, and corner-sharing OsSm6Os6 cuboctahedra. There are two shorter (2.61 Å) and two longer (2.74 Å) Os–Os bond lengths.

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36 MATERIALS SCIENCEcrystal structureOs-SmSmOs2

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2020-07-15. Materials Data on SmOs2 by Materials Project. https://doi.org/10.17188/1275412

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