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OsZr is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr2+ is bonded in a body-centered cubic geometry to eight equivalent Os2- atoms. All Zr–Os bond lengths are 2.85 Å. Os2- is bonded in a body-centered cubic geometry to eight equivalent Zr2+ atoms.
ZrOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr4+ is bonded in a 12-coordinate geometry to twelve Os2- atoms. There are a spread of Zr–Os bond distances ranging from 3.06–3.09 Å. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to six equivalent Zr4+ and six equivalent Os2- atoms to form a mixture of face, edge, and corner-sharing OsZr6Os6 cuboctahedra. All Os–Os bond lengths are 2.66 Å. In the second Os2- site, Os2- is bonded to six equivalent Zr4+ and six Os2- atoms to form a mixture of face, edge, and corner-sharing OsZr6Os6 cuboctahedra. There are two shorter (2.53 Å) and two longer (2.72 Å) Os–Os bond lengths.
ZrOs3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr4+ is bonded to twelve equivalent Os+1.33- atoms to form a mixture of face and corner-sharing ZrOs12 cuboctahedra. All Zr–Os bond lengths are 2.83 Å. Os+1.33- is bonded in a distorted square co-planar geometry to four equivalent Zr4+ atoms.
Zr11Os4 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four Zr6Os clusters and one Zr16Os7 framework. In each Zr6Os cluster, Zr is bonded in a single-bond geometry to one Os atom. The Zr–Os bond length is 2.72 Å. Os is bonded in an octahedral geometry to six equivalent Zr atoms. In the Zr16Os7 framework, there are two inequivalent Zr sites. In the first Zr site, Zr is bonded to four Os atoms to form a mixture of distorted edge and corner-sharing ZrOs4 tetrahedra. There are one shorter (2.74 Å) and three longer (3.00 Å) Zr–Os bond lengths. In the second Zr site, Zr is bonded in a trigonal planar geometry to three equivalent Os atoms. All Zr–Os bond lengths are 2.76 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded in a body-centered cubic geometry to eight equivalent Zr atoms. In the second Os site, Os is bonded in a 12-coordinate geometry to eight Zr atoms.