MgBi5 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 10-coordinate geometry to two equivalent Bi(2), two equivalent Bi(4), two equivalent Bi(5), and four equivalent Bi(1) atoms. There are five inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1), two equivalent Bi(2), two equivalent Bi(3), and two equivalent Bi(4) atoms. In the second Bi site, Bi(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(1), two equivalent Bi(1), and two equivalent Bi(3) atoms. In the third Bi site, Bi(3) is bonded in a 10-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), two equivalent Bi(5), and four equivalent Bi(4) atoms. In the fourth Bi site, Bi(4) is bonded in a distorted L-shaped geometry to two equivalent Mg(1), two equivalent Bi(1), and four equivalent Bi(3) atoms. In the fifth Bi site, Bi(5) is bonded in a distorted L-shaped geometry to two equivalent Mg(1) and two equivalent Bi(3) atoms.
MgBi5 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 10-coordinate geometry to two equivalent Bi(2), two equivalent Bi(4), two equivalent Bi(5), and four equivalent Bi(1) atoms. Both Mg(1)-Bi(2) bond lengths are 3.31 Å. Both Mg(1)-Bi(4) bond lengths are 3.19 Å. Both Mg(1)-Bi(5) bond lengths are 3.25 Å. All Mg(1)-Bi(1) bond lengths are 3.56 Å. There are five inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1), two equivalent Bi(2), two equivalent Bi(3), and two equivalent Bi(4) atoms. Both Bi(1)-Bi(2) bond lengths are 3.34 Å. Both Bi(1)-Bi(3) bond lengths are 3.49 Å. Both Bi(1)-Bi(4) bond lengths are 3.21 Å. In the second Bi site, Bi(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(1), two equivalent Bi(1), and two equivalent Bi(3) atoms. Both Bi(2)-Bi(3) bond lengths are 3.42 Å. In the third Bi site, Bi(3) is bonded in a 10-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), two equivalent Bi(5), and four equivalent Bi(4) atoms. Both Bi(3)-Bi(5) bond lengths are 3.43 Å. All Bi(3)-Bi(4) bond lengths are 3.66 Å. In the fourth Bi site, Bi(4) is bonded in a distorted L-shaped geometry to two equivalent Mg(1), two equivalent Bi(1), and four equivalent Bi(3) atoms. In the fifth Bi site, Bi(5) is bonded in a distorted L-shaped geometry to two equivalent Mg(1) and two equivalent Bi(3) atoms.