ZrOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 12-coordinate geometry to three equivalent Os(2) and nine equivalent Os(1) atoms. There are two inequivalent Os sites. In the first Os site, Os(2) is bonded to six equivalent Zr(1) and six equivalent Os(1) atoms to form a mixture of corner, edge, and face-sharing OsZr6Os6 cuboctahedra. In the second Os site, Os(1) is bonded to six equivalent Zr(1), two equivalent Os(2), and four equivalent Os(1) atoms to form a mixture of corner, edge, and face-sharing OsZr6Os6 cuboctahedra.
ZrOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 12-coordinate geometry to three equivalent Os(2) and nine equivalent Os(1) atoms. All Zr(1)-Os(2) bond lengths are 3.06 Å. There are six shorter (3.04 Å) and three longer (3.08 Å) Zr(1)-Os(1) bond lengths. There are two inequivalent Os sites. In the first Os site, Os(2) is bonded to six equivalent Zr(1) and six equivalent Os(1) atoms to form a mixture of corner, edge, and face-sharing OsZr6Os6 cuboctahedra. All Os(2)-Os(1) bond lengths are 2.65 Å. In the second Os site, Os(1) is bonded to six equivalent Zr(1), two equivalent Os(2), and four equivalent Os(1) atoms to form a mixture of corner, edge, and face-sharing OsZr6Os6 cuboctahedra. There are two shorter (2.51 Å) and two longer (2.69 Å) Os(1)-Os(1) bond lengths.