Ba4Mn3O10 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(3), two equivalent O(1), three equivalent O(4), and four equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Mn site, Mn(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form face-sharing MnO6 octahedra. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Mn(1), and one Mn(2) atom. In the second O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), four equivalent Ba(1), and one Mn(1) atom. In the third O site, O(4) is bonded to one Ba(1), three equivalent Ba(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Mn(1) atoms.
Ba4Mn3O10 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. The Ba(1)-O(4) bond length is 2.81 Å. Both Ba(1)-O(1) bond lengths are 2.95 Å. There are two shorter (2.75 Å) and two longer (2.95 Å) Ba(1)-O(2) bond lengths. There are a spread of Ba(1)-O(3) bond distances ranging from 2.89-3.32 Å. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(3), two equivalent O(1), three equivalent O(4), and four equivalent O(2) atoms. The Ba(2)-O(3) bond length is 2.66 Å. Both Ba(2)-O(1) bond lengths are 2.83 Å. There is one shorter (2.75 Å) and two longer (2.86 Å) Ba(2)-O(4) bond lengths. There are two shorter (2.79 Å) and two longer (2.93 Å) Ba(2)-O(2) bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 8°. The Mn(1)-O(3) bond length is 1.80 Å. The Mn(1)-O(4) bond length is 2.09 Å. Both Mn(1)-O(1) bond lengths are 1.90 Å. Both Mn(1)-O(2) bond lengths are 1.95 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form face-sharing MnO6 octahedra. Both Mn(2)-O(4) bond lengths are 1.90 Å. All Mn(2)-O(2) bond lengths are 1.90 Å. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Mn(1), and one Mn(2) atom. In the second O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), four equivalent Ba(1), and one Mn(1) atom. In the third O site, O(4) is bonded to one Ba(1), three equivalent Ba(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Mn(1) atoms.