Mg6LaBi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to one Mg(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent La(1), and two equivalent Bi(1) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), four equivalent Mg(3), and two equivalent La(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent La(1), and one Bi(1) atom. 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 Bi(1) atoms. La(1) is bonded in a 12-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Bi(1) atoms. Bi(1) is bonded in a 10-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), and two equivalent La(1) atoms.
Mg6LaBi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to one Mg(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent La(1), and two equivalent Bi(1) atoms. The Mg(1)-Mg(1) bond length is 3.03 Å. The Mg(1)-Mg(2) bond length is 3.32 Å. Both Mg(1)-Mg(3) bond lengths are 3.09 Å. Both Mg(1)-Mg(4) bond lengths are 3.36 Å. There is one shorter (3.55 Å) and one longer (3.58 Å) Mg(1)-La(1) bond length. Both Mg(1)-Bi(1) bond lengths are 3.24 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), four equivalent Mg(3), and two equivalent La(1) atoms. Both Mg(2)-Mg(4) bond lengths are 3.19 Å. All Mg(2)-Mg(3) bond lengths are 3.19 Å. Both Mg(2)-La(1) bond lengths are 3.34 Å. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent La(1), and one Bi(1) atom. The Mg(3)-Mg(4) bond length is 3.38 Å. There is one shorter (3.25 Å) and one longer (3.37 Å) Mg(3)-Mg(3) bond length. Both Mg(3)-La(1) bond lengths are 3.38 Å. The Mg(3)-Bi(1) bond length is 3.12 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 Bi(1) atoms. Both Mg(4)-Bi(1) bond lengths are 3.38 Å. La(1) is bonded in a 12-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Bi(1) atoms. Both La(1)-Bi(1) bond lengths are 3.35 Å. Bi(1) is bonded in a 10-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), and two equivalent La(1) atoms.