Ca4Mn3AlO11 crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded in a distorted q6 geometry to one O(2), two equivalent O(1), four equivalent O(3), and four equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. Al(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ca(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to four equivalent Ca(1) and two equivalent Mn(2) atoms to form a mixture of distorted face and corner-sharing OCa4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Ca(1), one Mn(1), and one Al(1) atom. In the fourth O site, O(4) is bonded to four equivalent Ca(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge, face, and corner-sharing OCa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°.
Ca4Mn3AlO11 crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded in a distorted q6 geometry to one O(2), two equivalent O(1), four equivalent O(3), and four equivalent O(4) atoms. The Ca(1)-O(2) bond length is 2.52 Å. Both Ca(1)-O(1) bond lengths are 2.71 Å. All Ca(1)-O(3) bond lengths are 2.79 Å. All Ca(1)-O(4) bond lengths are 2.60 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. Both Mn(1)-O(1) bond lengths are 1.89 Å. Both Mn(1)-O(3) bond lengths are 2.00 Å. Both Mn(1)-O(4) bond lengths are 1.92 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. Both Mn(2)-O(2) bond lengths are 1.89 Å. All Mn(2)-O(4) bond lengths are 1.91 Å. Al(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. All Al(1)-O(3) bond lengths are 1.82 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ca(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to four equivalent Ca(1) and two equivalent Mn(2) atoms to form a mixture of distorted face and corner-sharing OCa4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Ca(1), one Mn(1), and one Al(1) atom. In the fourth O site, O(4) is bonded to four equivalent Ca(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge, face, and corner-sharing OCa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°.