Materials Data on LaMg4Cu by Materials Project

Abstract

LaCuMg4 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted water-like geometry to four equivalent La and two equivalent Cu atoms. There are two shorter (3.51 Å) and two longer (3.57 Å) Mg–La bond lengths. Both Mg–Cu bond lengths are 2.88 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent La and two equivalent Cu atoms. Both Mg–La bond lengths are 3.37 Å. Both Mg–Cu bond lengths are 2.84 Å. In the third Mg site, Mg is bonded in a single-bond geometry to three equivalent La and one Cu atom. There are one shorter (3.51 Å) and two longer (3.68 Å) Mg–La bond lengths. The Mg–Cu bond length is 2.61 Å. La is bonded in a 2-coordinate geometry to thirteen Mg and two equivalent Cu atoms. Both La–Cu bond lengths are 3.13 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to nine Mg atoms. In the second Cu site, Cu is bonded in a distorted q6 geometry to six equivalent Mg and three equivalent La atoms.