Ca2TiWO6 crystallizes in the monoclinic Cm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(1), four equivalent O(3), and four equivalent O(4) atoms. Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. W(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ca(2), one Ti(1), and one W(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(2), two equivalent Ca(1), one Ti(1), and one W(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ca(1), two equivalent Ca(2), one Ti(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), one Ti(1), and one W(1) atom.
Ca2TiWO6 crystallizes in the monoclinic Cm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. The Ca(1)-O(1) bond length is 2.55 Å. Both Ca(1)-O(2) bond lengths are 2.81 Å. Both Ca(1)-O(3) bond lengths are 2.64 Å. There are two shorter (2.59 Å) and two longer (3.05 Å) Ca(1)-O(4) bond lengths. In the second Ca site, Ca(2) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(1), four equivalent O(3), and four equivalent O(4) atoms. The Ca(2)-O(2) bond length is 2.45 Å. Both Ca(2)-O(1) bond lengths are 2.79 Å. There are two shorter (2.68 Å) and two longer (2.95 Å) Ca(2)-O(3) bond lengths. There are two shorter (2.66 Å) and two longer (3.04 Å) Ca(2)-O(4) bond lengths. Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. The Ti(1)-O(1) bond length is 1.94 Å. The Ti(1)-O(2) bond length is 1.96 Å. Both Ti(1)-O(3) bond lengths are 1.99 Å. Both Ti(1)-O(4) bond lengths are 1.92 Å. W(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. The W(1)-O(1) bond length is 2.03 Å. The W(1)-O(2) bond length is 2.03 Å. Both W(1)-O(3) bond lengths are 2.02 Å. Both W(1)-O(4) bond lengths are 2.07 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ca(2), one Ti(1), and one W(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(2), two equivalent Ca(1), one Ti(1), and one W(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ca(1), two equivalent Ca(2), one Ti(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), one Ti(1), and one W(1) atom.