Materials Data on La(AsIr)2 by Materials Project

Abstract

LaIr2As2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to eight Ir and eight As atoms. There are four shorter (3.32 Å) and four longer (3.37 Å) La–Ir bond lengths. There are four shorter (3.28 Å) and four longer (3.30 Å) La–As bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent La and four equivalent As atoms. All Ir–As bond lengths are 2.58 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent La and five As atoms. There are one shorter (2.47 Å) and four longer (2.48 Å) Ir–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Ir atoms. In the second As site, As is bonded in a 9-coordinate geometry to four equivalent La and five Ir atoms.