Materials Data on SnIr3 by Materials Project
Ir3Sn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded to eight Ir and four equivalent Sn atoms to form distorted IrSn4Ir8 cuboctahedra that share corners with four equivalent SnIr12 cuboctahedra, corners with fourteen IrSn4Ir8 cuboctahedra, edges with six equivalent SnIr12 cuboctahedra, edges with twelve IrSn4Ir8 cuboctahedra, faces with four equivalent SnIr12 cuboctahedra, and faces with sixteen IrSn4Ir8 cuboctahedra. There are six shorter (2.78 Å) and two longer (2.91 Å) Ir–Ir bond lengths. There are two shorter (2.82 Å) and two longer (2.84 Å) Ir–Sn bond lengths. In the second Ir site, Ir is bonded to eight equivalent Ir and four equivalent Sn atoms to form distorted IrSn4Ir8 cuboctahedra that share corners with four equivalent SnIr12 cuboctahedra, corners with fourteen IrSn4Ir8 cuboctahedra, edges with six equivalent SnIr12 cuboctahedra, edges with twelve equivalent IrSn4Ir8 cuboctahedra, faces with four equivalent SnIr12 cuboctahedra, and faces with sixteen IrSn4Ir8 cuboctahedra. There are two shorter (2.82 Å) and two longer (2.84 Å) Ir–Sn bond lengths. Sn is bonded to twelve Ir atoms to form SnIr12 cuboctahedra that share corners with six equivalent SnIr12 cuboctahedra, corners with twelve equivalent IrSn4Ir8 cuboctahedra, edges with eighteen IrSn4Ir8 cuboctahedra, faces with eight equivalent SnIr12 cuboctahedra, and faces with twelve IrSn4Ir8 cuboctahedra.