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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Lu(SiOs)2 by Materials Project

Lu(OsSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu3+ is bonded to eight equivalent Os+1.50- atoms to form distorted edge-sharing LuOs8 hexagonal bipyramids. All Lu–Os bond lengths are 3.16 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Lu3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.39 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.41 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Si13Os4 by Materials Project

Lu3Os4Si13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Lu3+ is bonded in a 12-coordinate geometry to four equivalent Os+1.25- and twelve equivalent Si+0.31- atoms. All Lu–Os bond lengths are 3.10 Å. There are eight shorter (3.14 Å) and four longer (3.19 Å) Lu–Si bond lengths. Os+1.25- is bonded in a 6-coordinate geometry to three equivalent Lu3+ and six equivalent Si+0.31- atoms. All Os–Si bond lengths are 2.42 Å. There are two inequivalent Si+0.31- sites. In the first Si+0.31- site, Si+0.31- is bonded in a 2-coordinate geometry to three equivalent Lu3+, two equivalent Os+1.25-, and one Si+0.31- atom. The Si–Si bond length is 2.77 Å. In the second Si+0.31- site, Si+0.31- is bonded in a cuboctahedral geometry to twelve equivalent Si+0.31- atoms.

36 MATERIALS SCIENCE↗