MgBi crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one Bi(2), two equivalent Bi(1), and three equivalent Bi(3) atoms. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to two equivalent Bi(2), two equivalent Bi(3), and three equivalent Bi(1) atoms. In the third Mg site, Mg(3) is bonded in a 7-coordinate geometry to two equivalent Bi(1), two equivalent Bi(3), and three equivalent Bi(2) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), and three equivalent Mg(2) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), and two equivalent Bi(2) atoms. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), and three equivalent Mg(1) atoms.
MgBi crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one Bi(2), two equivalent Bi(1), and three equivalent Bi(3) atoms. The Mg(1)-Bi(2) bond length is 3.51 Å. Both Mg(1)-Bi(1) bond lengths are 3.27 Å. There is one shorter (3.09 Å) and two longer (3.37 Å) Mg(1)-Bi(3) bond lengths. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to two equivalent Bi(2), two equivalent Bi(3), and three equivalent Bi(1) atoms. Both Mg(2)-Bi(2) bond lengths are 3.19 Å. Both Mg(2)-Bi(3) bond lengths are 3.18 Å. There is one shorter (3.16 Å) and two longer (3.33 Å) Mg(2)-Bi(1) bond lengths. In the third Mg site, Mg(3) is bonded in a 7-coordinate geometry to two equivalent Bi(1), two equivalent Bi(3), and three equivalent Bi(2) atoms. Both Mg(3)-Bi(1) bond lengths are 3.32 Å. Both Mg(3)-Bi(3) bond lengths are 3.33 Å. There are two shorter (3.20 Å) and one longer (3.36 Å) Mg(3)-Bi(2) bond length. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), and three equivalent Mg(2) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), and two equivalent Bi(2) atoms. Both Bi(2)-Bi(2) bond lengths are 3.38 Å. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), and three equivalent Mg(1) atoms.