MgBi is Vulcanite-like structured and crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent Bi(3) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(3), two equivalent Bi(1), two equivalent Bi(3), and four equivalent Bi(2) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Mg(2), two equivalent Bi(2), and two equivalent Bi(3) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Mg(2) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), and four equivalent Mg(2) atoms. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms.
MgBi is Vulcanite-like structured and crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent Bi(3) atoms. Both Mg(1)-Bi(1) bond lengths are 3.12 Å. Both Mg(1)-Bi(2) bond lengths are 3.05 Å. Both Mg(1)-Bi(3) bond lengths are 3.28 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(3), two equivalent Bi(1), two equivalent Bi(3), and four equivalent Bi(2) atoms. Both Mg(2)-Mg(3) bond lengths are 3.31 Å. Both Mg(2)-Bi(1) bond lengths are 3.47 Å. Both Mg(2)-Bi(3) bond lengths are 3.39 Å. All Mg(2)-Bi(2) bond lengths are 3.56 Å. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Mg(2), two equivalent Bi(2), and two equivalent Bi(3) atoms. Both Mg(3)-Bi(2) bond lengths are 3.12 Å. Both Mg(3)-Bi(3) bond lengths are 3.32 Å. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Mg(2) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), and four equivalent Mg(2) atoms. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms.