Ca2MnWO6 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. W(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 WO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. 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 W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OCa2MnW tetrahedra. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OCa2MnW tetrahedra. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OCa2MnW tetrahedra.
Ca2MnWO6 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Ca(1)-O(1) bond length is 2.51 Å. The Ca(1)-O(2) bond length is 2.31 Å. The Ca(1)-O(3) bond length is 2.50 Å. The Ca(1)-O(4) bond length is 2.51 Å. The Ca(1)-O(5) bond length is 2.32 Å. The Ca(1)-O(6) bond length is 2.31 Å. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Ca(2)-O(1) bond length is 2.36 Å. The Ca(2)-O(2) bond length is 2.47 Å. The Ca(2)-O(3) bond length is 2.36 Å. The Ca(2)-O(4) bond length is 2.36 Å. The Ca(2)-O(5) bond length is 2.47 Å. The Ca(2)-O(6) bond length is 2.47 Å. W(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 WO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. The W(1)-O(1) bond length is 1.93 Å. The W(1)-O(2) bond length is 1.99 Å. The W(1)-O(3) bond length is 1.93 Å. The W(1)-O(4) bond length is 1.93 Å. The W(1)-O(5) bond length is 1.99 Å. The W(1)-O(6) bond length is 1.99 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 W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. The Mn(1)-O(1) bond length is 2.28 Å. The Mn(1)-O(2) bond length is 2.13 Å. The Mn(1)-O(3) bond length is 2.28 Å. The Mn(1)-O(4) bond length is 2.28 Å. The Mn(1)-O(5) bond length is 2.13 Å. The Mn(1)-O(6) bond length is 2.13 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OCa2MnW tetrahedra. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OCa2MnW tetrahedra. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(2), one W(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OCa2MnW tetrahedra.