Materials Data on Sm(PIr)2 by Materials Project
SmIr2P2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight Ir and eight P atoms. There are four shorter (3.19 Å) and four longer (3.24 Å) Sm–Ir bond lengths. There are four shorter (3.12 Å) and four longer (3.15 Å) Sm–P bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Sm and four equivalent P atoms to form a mixture of distorted edge and face-sharing IrSm4P4 cuboctahedra. All Ir–P bond lengths are 2.48 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Sm and five P atoms. There are four shorter (2.35 Å) and one longer (2.37 Å) Ir–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Ir atoms. In the second P site, P is bonded in a 9-coordinate geometry to four equivalent Sm and five Ir atoms.