BaMg6Bi crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Bi(1) atoms to form a mixture of face and corner-sharing BaMg10Bi2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 9-coordinate geometry to two equivalent Ba(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Bi(1) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to two equivalent Ba(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and one Bi(1) atom. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and two equivalent Bi(1) atoms. Bi(1) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms.
BaMg6Bi crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Bi(1) atoms to form a mixture of face and corner-sharing BaMg10Bi2 cuboctahedra. Both Ba(1)-Mg(2) bond lengths are 3.62 Å. There are two shorter (3.52 Å) and two longer (3.58 Å) Ba(1)-Mg(1) bond lengths. All Ba(1)-Mg(3) bond lengths are 3.52 Å. Both Ba(1)-Bi(1) bond lengths are 3.43 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 9-coordinate geometry to two equivalent Ba(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Bi(1) atoms. The Mg(1)-Mg(2) bond length is 3.39 Å. Both Mg(1)-Mg(3) bond lengths are 3.19 Å. Both Mg(1)-Mg(4) bond lengths are 3.35 Å. Both Mg(1)-Bi(1) bond lengths are 3.28 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. Both Mg(2)-Mg(4) bond lengths are 3.37 Å. All Mg(2)-Mg(3) bond lengths are 3.20 Å. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to two equivalent Ba(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and one Bi(1) atom. The Mg(3)-Mg(3) bond length is 3.12 Å. The Mg(3)-Bi(1) bond length is 3.10 Å. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and two equivalent Bi(1) atoms. Both Mg(4)-Bi(1) bond lengths are 3.62 Å. Bi(1) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms.