CaLa2Mn3O9 crystallizes in the trigonal P-3c1 space group. Ca(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. La(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 20-22°. In the second Mn site, Mn(2) is bonded to six equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), two equivalent La(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), and two equivalent Mn(1) atoms.
CaLa2Mn3O9 crystallizes in the trigonal P-3c1 space group. Ca(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. All Ca(1)-O(2) bond lengths are 2.40 Å. All Ca(1)-O(1) bond lengths are 2.80 Å. La(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. All La(1)-O(2) bond lengths are 2.75 Å. There are three shorter (2.43 Å) and three longer (2.77 Å) La(1)-O(1) bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 20-22°. All Mn(1)-O(1) bond lengths are 2.00 Å. All Mn(1)-O(2) bond lengths are 1.98 Å. In the second Mn site, Mn(2) is bonded to six equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Mn(2)-O(1) bond lengths are 1.98 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), two equivalent La(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), and two equivalent Mn(1) atoms.