Mg6LaNi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to two equivalent Mg(2), two equivalent Mg(4), and one Ni(1) atom. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Mg(3), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent La(1), and two equivalent Ni(1) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), and two equivalent Ni(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), and two equivalent La(1) atoms. La(1) is bonded in a 2-coordinate geometry to two equivalent Mg(4), four equivalent Mg(2), and two equivalent Ni(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), four equivalent Mg(2), and two equivalent La(1) atoms.
Mg6LaNi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to two equivalent Mg(2), two equivalent Mg(4), and one Ni(1) atom. Both Mg(1)-Mg(2) bond lengths are 3.03 Å. Both Mg(1)-Mg(4) bond lengths are 3.07 Å. The Mg(1)-Ni(1) bond length is 2.73 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Mg(3), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent La(1), and two equivalent Ni(1) atoms. The Mg(2)-Mg(3) bond length is 3.07 Å. The Mg(2)-Mg(4) bond length is 3.19 Å. There is one shorter (2.85 Å) and one longer (3.01 Å) Mg(2)-Mg(2) bond length. Both Mg(2)-La(1) bond lengths are 3.29 Å. Both Mg(2)-Ni(1) bond lengths are 2.90 Å. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), and two equivalent Ni(1) atoms. Both Mg(3)-Mg(4) bond lengths are 3.09 Å. Both Mg(3)-Ni(1) bond lengths are 3.28 Å. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), and two equivalent La(1) atoms. Both Mg(4)-La(1) bond lengths are 3.25 Å. La(1) is bonded in a 2-coordinate geometry to two equivalent Mg(4), four equivalent Mg(2), and two equivalent Ni(1) atoms. Both La(1)-Ni(1) bond lengths are 3.11 Å. Ni(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), four equivalent Mg(2), and two equivalent La(1) atoms.