Mg6LaY crystallizes in the trigonal R-3m space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(3), three equivalent La(1), and one Y(1) atom. In the second Mg site, Mg(2) is bonded in a body-centered cubic geometry to four equivalent Mg(3), one La(1), and three equivalent Y(1) atoms. In the third Mg site, Mg(3) is bonded in a 14-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), three equivalent La(1), and three equivalent Y(1) atoms. In the fourth Mg site, Mg(2) is bonded in a body-centered cubic geometry to four equivalent Mg(3), one La(1), and three equivalent Y(1) atoms. In the fifth Mg site, Mg(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(3), three equivalent La(1), and one Y(1) atom. In the sixth Mg site, Mg(2) is bonded in a body-centered cubic geometry to four equivalent Mg(3), one La(1), and three equivalent Y(1) atoms. La(1) is bonded in a distorted body-centered cubic geometry to two equivalent Mg(2), six equivalent Mg(1), and six equivalent Mg(3) atoms. Y(1) is bonded in a distorted body-centered cubic geometry to two equivalent Mg(1), six equivalent Mg(2), and six equivalent Mg(3) atoms.
Mg6LaY crystallizes in the trigonal R-3m space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(3), three equivalent La(1), and one Y(1) atom. There are three shorter (3.19 Å) and one longer (3.30 Å) Mg(1)-Mg(3) bond length. All Mg(1)-La(1) bond lengths are 3.22 Å. The Mg(1)-Y(1) bond length is 3.15 Å. In the second Mg site, Mg(2) is bonded in a body-centered cubic geometry to four equivalent Mg(3), one La(1), and three equivalent Y(1) atoms. There is one shorter (3.13 Å) and three longer (3.21 Å) Mg(2)-Mg(3) bond lengths. The Mg(2)-La(1) bond length is 3.26 Å. All Mg(2)-Y(1) bond lengths are 3.18 Å. In the third Mg site, Mg(3) is bonded in a 14-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), three equivalent La(1), and three equivalent Y(1) atoms. All Mg(3)-La(1) bond lengths are 3.71 Å. All Mg(3)-Y(1) bond lengths are 3.68 Å. In the fourth Mg site, Mg(2) is bonded in a body-centered cubic geometry to four equivalent Mg(3), one La(1), and three equivalent Y(1) atoms. There is one shorter (3.13 Å) and three longer (3.21 Å) Mg(2)-Mg(3) bond lengths. The Mg(2)-La(1) bond length is 3.26 Å. All Mg(2)-Y(1) bond lengths are 3.18 Å. In the fifth Mg site, Mg(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(3), three equivalent La(1), and one Y(1) atom. There are three shorter (3.19 Å) and one longer (3.30 Å) Mg(1)-Mg(3) bond length. All Mg(1)-La(1) bond lengths are 3.22 Å. The Mg(1)-Y(1) bond length is 3.15 Å. In the sixth Mg site, Mg(2) is bonded in a body-centered cubic geometry to four equivalent Mg(3), one La(1), and three equivalent Y(1) atoms. There is one shorter (3.13 Å) and three longer (3.21 Å) Mg(2)-Mg(3) bond lengths. The Mg(2)-La(1) bond length is 3.26 Å. All Mg(2)-Y(1) bond lengths are 3.18 Å. La(1) is bonded in a distorted body-centered cubic geometry to two equivalent Mg(2), six equivalent Mg(1), and six equivalent Mg(3) atoms. Y(1) is bonded in a distorted body-centered cubic geometry to two equivalent Mg(1), six equivalent Mg(2), and six equivalent Mg(3) atoms.