Ba4Mg(Co2O5)2 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), one O(9), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(7), and two equivalent O(5) atoms. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(9), and two equivalent O(8) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Co site, Co(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third Co site, Co(3) is bonded to one O(10), one O(5), one O(8), and one O(9) atom to form distorted corner-sharing CoO4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(10), one O(6), one O(7), and one O(9) atom to form corner-sharing CoO4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), one Mg(1), and one Co(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), one Mg(1), and one Co(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Mg(1), and one Co(4) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(2), two equivalent Ba(4), one Mg(1), and one Co(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(4), one Mg(1), one Co(3), and one Co(4) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Mg(1), one Co(3), and one Co(4) atom.
Ba4Mg(Co2O5)2 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), one O(9), and two equivalent O(5) atoms. The Ba(1)-O(1) bond length is 2.89 Å. The Ba(1)-O(2) bond length is 2.87 Å. The Ba(1)-O(3) bond length is 2.89 Å. The Ba(1)-O(4) bond length is 2.88 Å. The Ba(1)-O(7) bond length is 2.70 Å. The Ba(1)-O(9) bond length is 2.71 Å. There is one shorter (2.84 Å) and one longer (3.06 Å) Ba(1)-O(5) bond length. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. The Ba(2)-O(1) bond length is 2.71 Å. The Ba(2)-O(10) bond length is 2.86 Å. The Ba(2)-O(2) bond length is 2.72 Å. The Ba(2)-O(3) bond length is 2.70 Å. The Ba(2)-O(4) bond length is 2.71 Å. The Ba(2)-O(6) bond length is 2.78 Å. The Ba(2)-O(8) bond length is 2.90 Å. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(7), and two equivalent O(5) atoms. The Ba(3)-O(1) bond length is 2.71 Å. The Ba(3)-O(10) bond length is 2.86 Å. The Ba(3)-O(2) bond length is 2.71 Å. The Ba(3)-O(3) bond length is 2.72 Å. The Ba(3)-O(4) bond length is 2.71 Å. The Ba(3)-O(7) bond length is 2.77 Å. There is one shorter (2.91 Å) and one longer (3.41 Å) Ba(3)-O(5) bond length. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(9), and two equivalent O(8) atoms. The Ba(4)-O(1) bond length is 2.88 Å. The Ba(4)-O(2) bond length is 2.90 Å. The Ba(4)-O(3) bond length is 2.87 Å. The Ba(4)-O(4) bond length is 2.88 Å. The Ba(4)-O(6) bond length is 2.71 Å. The Ba(4)-O(9) bond length is 2.71 Å. There is one shorter (2.84 Å) and one longer (3.09 Å) Ba(4)-O(8) bond length. Mg(1) is bonded in a 5-coordinate geometry to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. The Mg(1)-O(10) bond length is 2.07 Å. The Mg(1)-O(5) bond length is 2.31 Å. The Mg(1)-O(6) bond length is 2.12 Å. The Mg(1)-O(7) bond length is 2.11 Å. The Mg(1)-O(8) bond length is 2.26 Å. The Mg(1)-O(9) bond length is 2.72 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Co(1)-O(1) bond length is 2.04 Å. The Co(1)-O(2) bond length is 1.94 Å. The Co(1)-O(3) bond length is 1.94 Å. The Co(1)-O(4) bond length is 2.04 Å. In the second Co site, Co(2) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Co(2)-O(1) bond length is 1.95 Å. The Co(2)-O(2) bond length is 2.03 Å. The Co(2)-O(3) bond length is 2.03 Å. The Co(2)-O(4) bond length is 1.95 Å. In the third Co site, Co(3) is bonded to one O(10), one O(5), one O(8), and one O(9) atom to form distorted corner-sharing CoO4 tetrahedra. The Co(3)-O(10) bond length is 1.94 Å. The Co(3)-O(5) bond length is 1.83 Å. The Co(3)-O(8) bond length is 1.84 Å. The Co(3)-O(9) bond length is 1.99 Å. In the fourth Co site, Co(4) is bonded to one O(10), one O(6), one O(7), and one O(9) atom to form corner-sharing CoO4 tetrahedra. The Co(4)-O(10) bond length is 1.97 Å. The Co(4)-O(6) bond length is 1.89 Å. The Co(4)-O(7) bond length is 1.89 Å. The Co(4)-O(9) bond length is 1.92 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), one Mg(1), and one Co(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), one Mg(1), and one Co(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Mg(1), and one Co(4) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(2), two equivalent Ba(4), one Mg(1), and one Co(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(4), one Mg(1), one Co(3), and one Co(4) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Mg(1), one Co(3), and one Co(4) atom.