Ba2MgMn2O6 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms. Mg(1) is bonded in a trigonal pyramidal geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OBa2Mn2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Mg(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OBa2MgMn2 square pyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Mn(1) atom.
Ba2MgMn2O6 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. The Ba(1)-O(1) bond length is 2.66 Å. The Ba(1)-O(3) bond length is 3.14 Å. The Ba(1)-O(4) bond length is 2.65 Å. The Ba(1)-O(5) bond length is 2.78 Å. The Ba(1)-O(6) bond length is 2.98 Å. There is one shorter (2.89 Å) and one longer (3.01 Å) Ba(1)-O(2) bond length. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms. The Ba(2)-O(1) bond length is 2.61 Å. The Ba(2)-O(2) bond length is 2.79 Å. The Ba(2)-O(3) bond length is 2.82 Å. The Ba(2)-O(4) bond length is 2.65 Å. The Ba(2)-O(5) bond length is 2.69 Å. There is one shorter (2.93 Å) and one longer (3.00 Å) Ba(2)-O(6) bond length. Mg(1) is bonded in a trigonal pyramidal geometry to one O(3), one O(4), one O(5), and one O(6) atom. The Mg(1)-O(3) bond length is 1.96 Å. The Mg(1)-O(4) bond length is 2.01 Å. The Mg(1)-O(5) bond length is 1.96 Å. The Mg(1)-O(6) bond length is 2.01 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. The Mn(1)-O(1) bond length is 1.98 Å. The Mn(1)-O(2) bond length is 1.97 Å. The Mn(1)-O(4) bond length is 2.53 Å. The Mn(1)-O(5) bond length is 1.97 Å. The Mn(1)-O(6) bond length is 1.95 Å. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. The Mn(2)-O(1) bond length is 1.93 Å. The Mn(2)-O(2) bond length is 1.98 Å. The Mn(2)-O(3) bond length is 1.96 Å. The Mn(2)-O(4) bond length is 1.96 Å. The Mn(2)-O(5) bond length is 2.45 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OBa2Mn2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Mg(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OBa2MgMn2 square pyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Ba(1), two equivalent Ba(2), one Mg(1), and one Mn(1) atom.