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LaOs2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to twelve equivalent Os+1.50- atoms. All La–Os bond lengths are 3.22 Å. Os+1.50- is bonded to six equivalent La3+ and six equivalent Os+1.50- atoms to form a mixture of edge, face, and corner-sharing OsLa6Os6 cuboctahedra. All Os–Os bond lengths are 2.74 Å.
LaOs2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are a spread of La–Os bond distances ranging from 3.15–3.30 Å. There are three inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent La3+ and six Os+1.50- atoms to form a mixture of edge, face, and corner-sharing OsLa6Os6 cuboctahedra. All Os–Os bond lengths are 2.81 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent La3+ and six Os+1.50- atoms to form a mixture of edge, face, and corner-sharing OsLa6Os6 cuboctahedra. There are a spread of Os–Os bond distances ranging from 2.63–2.75 Å. In the third Os+1.50- site, Os+1.50- is bonded to six equivalent La3+ and six Os+1.50- atoms to form a mixture of edge, face, and corner-sharing OsLa6Os6 cuboctahedra.