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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La(SiOs)2 by Materials Project

La(OsSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight equivalent Os+1.50- atoms. All La–Os bond lengths are 3.29 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent La3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.41 Å. Si is bonded in a 4-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.73 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSi3Os by Materials Project

LaOsSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La3+ is bonded to twelve Si+1.33- atoms to form a mixture of edge, face, and corner-sharing LaSi12 cuboctahedra. There are a spread of La–Si bond distances ranging from 3.14–3.40 Å. Os1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.38 Å) and four longer (2.40 Å) Os–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted single-bond geometry to four equivalent La3+, one Os1+, and four equivalent Si+1.33- atoms. All Si–Si bond lengths are 2.66 Å. In the second Si+1.33- site, Si+1.33- is bonded in a distorted bent 120 degrees geometry to four equivalent La3+, two equivalent Os1+, and two equivalent Si+1.33- atoms.

36 MATERIALS SCIENCE↗