CaLaMnMoO6 crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MoO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one La(1), one Mo(1), and one Mn(1) atom to form distorted corner-sharing OCaLaMnMo tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one La(1), one Mo(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one La(1), one Mo(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), one Mo(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), one Mo(1), and one Mn(1) atom. In the sixth O site, O(6) is bonded to one Ca(1), one La(1), one Mo(1), and one Mn(1) atom to form distorted corner-sharing OCaLaMnMo tetrahedra.
CaLaMnMoO6 crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. The Ca(1)-O(1) bond length is 2.42 Å. The Ca(1)-O(4) bond length is 2.38 Å. The Ca(1)-O(5) bond length is 2.44 Å. The Ca(1)-O(6) bond length is 2.35 Å. There is one shorter (2.69 Å) and one longer (2.87 Å) Ca(1)-O(2) bond length. There is one shorter (2.69 Å) and one longer (2.79 Å) Ca(1)-O(3) bond length. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. The La(1)-O(1) bond length is 2.36 Å. The La(1)-O(2) bond length is 2.46 Å. The La(1)-O(3) bond length is 2.38 Å. The La(1)-O(6) bond length is 2.46 Å. There is one shorter (2.73 Å) and one longer (2.77 Å) La(1)-O(4) bond length. There is one shorter (2.69 Å) and one longer (2.90 Å) La(1)-O(5) bond length. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MoO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. The Mo(1)-O(1) bond length is 2.05 Å. The Mo(1)-O(2) bond length is 1.95 Å. The Mo(1)-O(3) bond length is 2.03 Å. The Mo(1)-O(4) bond length is 2.04 Å. The Mo(1)-O(5) bond length is 1.96 Å. The Mo(1)-O(6) bond length is 2.04 Å. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. The Mn(1)-O(1) bond length is 2.16 Å. The Mn(1)-O(2) bond length is 2.23 Å. The Mn(1)-O(3) bond length is 2.14 Å. The Mn(1)-O(4) bond length is 2.17 Å. The Mn(1)-O(5) bond length is 2.27 Å. The Mn(1)-O(6) bond length is 2.18 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one La(1), one Mo(1), and one Mn(1) atom to form distorted corner-sharing OCaLaMnMo tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one La(1), one Mo(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one La(1), one Mo(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), one Mo(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), one Mo(1), and one Mn(1) atom. In the sixth O site, O(6) is bonded to one Ca(1), one La(1), one Mo(1), and one Mn(1) atom to form distorted corner-sharing OCaLaMnMo tetrahedra.