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PrOs2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pr3+ is bonded in a 12-coordinate geometry to twelve equivalent Os+1.50- atoms. All Pr–Os bond lengths are 3.21 Å. Os+1.50- is bonded to six equivalent Pr3+ and six equivalent Os+1.50- atoms to form a mixture of edge, face, and corner-sharing OsPr6Os6 cuboctahedra. All Os–Os bond lengths are 2.74 Å.
PrOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are a spread of Pr–Os bond distances ranging from 3.17–3.26 Å. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent Pr3+ and six equivalent Os+1.50- atoms to form a mixture of edge, face, and corner-sharing OsPr6Os6 cuboctahedra. All Os–Os bond lengths are 2.79 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Pr3+ and six Os+1.50- atoms to form a mixture of edge, face, and corner-sharing OsPr6Os6 cuboctahedra. There are two shorter (2.64 Å) and two longer (2.76 Å) Os–Os bond lengths.
Pr3Os is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to three equivalent Os atoms. There are a spread of Pr–Os bond distances ranging from 2.93–3.46 Å. In the second Pr site, Pr is bonded in a bent 150 degrees geometry to two equivalent Os atoms. There are one shorter (2.89 Å) and one longer (2.94 Å) Pr–Os bond lengths. Os is bonded in a 6-coordinate geometry to eight Pr atoms.