ZrMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1), three equivalent Mn(1), and nine equivalent Mn(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Zr(1) and six equivalent Mn(2) atoms to form a mixture of face, corner, and edge-sharing MnZr6Mn6 cuboctahedra. In the second Mn site, Mn(2) is bonded to six equivalent Zr(1), two equivalent Mn(1), and four equivalent Mn(2) atoms to form a mixture of face, corner, and edge-sharing MnZr6Mn6 cuboctahedra.
ZrMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1), three equivalent Mn(1), and nine equivalent Mn(2) atoms. There are three shorter (3.22 Å) and one longer (3.25 Å) Zr(1)-Zr(1) bond length. All Zr(1)-Mn(1) bond lengths are 3.08 Å. There are three shorter (3.08 Å) and six longer (3.09 Å) Zr(1)-Mn(2) bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Zr(1) and six equivalent Mn(2) atoms to form a mixture of face, corner, and edge-sharing MnZr6Mn6 cuboctahedra. All Mn(1)-Mn(2) bond lengths are 2.63 Å. In the second Mn site, Mn(2) is bonded to six equivalent Zr(1), two equivalent Mn(1), and four equivalent Mn(2) atoms to form a mixture of face, corner, and edge-sharing MnZr6Mn6 cuboctahedra. There are two shorter (2.62 Å) and two longer (2.63 Å) Mn(2)-Mn(2) bond lengths.