BaMn6O12 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(8), two equivalent O(5), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), one O(6), one O(8), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the third Mn site, Mn(3) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mn(3), and two equivalent Mn(4) atoms. In the second O site, O(4) is bonded to one Ba(1), one Mn(3), and two equivalent Mn(4) atoms to form a mixture of distorted corner and edge-sharing OBaMn3 trigonal pyramids. In the third O site, O(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the fourth O site, O(6) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(2) atoms. In the fifth O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Mn(1), and two equivalent Mn(2) atoms. In the sixth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mn(1), and two equivalent Mn(2) atoms. In the seventh O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the eighth O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom.
BaMn6O12 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. Both Ba(1)-O(3) bond lengths are 3.11 Å. Both Ba(1)-O(4) bond lengths are 2.73 Å. Both Ba(1)-O(5) bond lengths are 3.16 Å. Both Ba(1)-O(7) bond lengths are 2.71 Å. Both Ba(1)-O(8) bond lengths are 3.08 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(8), two equivalent O(5), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. The Mn(1)-O(1) bond length is 1.93 Å. The Mn(1)-O(8) bond length is 2.05 Å. Both Mn(1)-O(5) bond lengths are 1.91 Å. Both Mn(1)-O(7) bond lengths are 1.93 Å. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), one O(6), one O(8), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The Mn(2)-O(2) bond length is 1.91 Å. The Mn(2)-O(5) bond length is 1.90 Å. The Mn(2)-O(6) bond length is 1.89 Å. The Mn(2)-O(8) bond length is 1.95 Å. There is one shorter (1.94 Å) and one longer (2.01 Å) Mn(2)-O(7) bond length. In the third Mn site, Mn(3) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. The Mn(3)-O(3) bond length is 1.96 Å. The Mn(3)-O(6) bond length is 1.90 Å. Both Mn(3)-O(2) bond lengths are 1.91 Å. Both Mn(3)-O(4) bond lengths are 1.95 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. The Mn(4)-O(1) bond length is 1.89 Å. The Mn(4)-O(2) bond length is 1.90 Å. The Mn(4)-O(3) bond length is 1.97 Å. The Mn(4)-O(5) bond length is 1.89 Å. There is one shorter (1.93 Å) and one longer (1.97 Å) Mn(4)-O(4) bond length. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mn(3), and two equivalent Mn(4) atoms. In the second O site, O(4) is bonded to one Ba(1), one Mn(3), and two equivalent Mn(4) atoms to form a mixture of distorted corner and edge-sharing OBaMn3 trigonal pyramids. In the third O site, O(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the fourth O site, O(6) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(2) atoms. In the fifth O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Mn(1), and two equivalent Mn(2) atoms. In the sixth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mn(1), and two equivalent Mn(2) atoms. In the seventh O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the eighth O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom.