Materials Data on La2Ge4IrPd3 by Materials Project

Abstract

La2IrPd3Ge4 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to eight Pd and eight Ge atoms. There are four shorter (3.37 Å) and four longer (3.39 Å) La–Pd bond lengths. There are four shorter (3.31 Å) and four longer (3.40 Å) La–Ge bond lengths. In the second La site, La is bonded in a 12-coordinate geometry to four equivalent Ir, four equivalent Pd, and eight Ge atoms. All La–Ir bond lengths are 3.38 Å. All La–Pd bond lengths are 3.37 Å. There are four shorter (3.30 Å) and four longer (3.37 Å) La–Ge bond lengths. Ir is bonded in a 5-coordinate geometry to four equivalent La and five Ge atoms. There are one shorter (2.44 Å) and four longer (2.53 Å) Ir–Ge bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to four equivalent La and five Ge atoms. There are one shorter (2.47 Å) and four longer (2.56 Å) Pd–Ge bond lengths. In the second Pd site, Pd is bonded in a 4-coordinate geometry to four La and four Ge atoms. There are two shorter (2.56 Å) and two longer (2.59 Å) Pd–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La, one Ir, and four equivalent Pd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La and five Pd atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four La, two equivalent Ir, and two equivalent Pd atoms.