Ca2YMoO5 crystallizes in the orthorhombic Ima2 space group. Ca(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. Y(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form YO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with two equivalent Y(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. Mo(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MoO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra and corners with two equivalent Y(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Y(1) atoms to form OCa2Y2 tetrahedra that share corners with two equivalent O(1)Ca2Y2 tetrahedra and corners with eight equivalent O(2)Ca2YMo trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Ca(1), one Y(1), and one Mo(1) atom to form distorted OCa2YMo trigonal pyramids that share corners with four equivalent O(1)Ca2Y2 tetrahedra and corners with four equivalent O(2)Ca2YMo trigonal pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Mo(1) atoms.
Ca2YMoO5 crystallizes in the orthorhombic Ima2 space group. Ca(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. The Ca(1)-O(1) bond length is 2.39 Å. There is one shorter (2.29 Å) and one longer (2.49 Å) Ca(1)-O(2) bond length. There is one shorter (2.38 Å) and one longer (2.47 Å) Ca(1)-O(3) bond length. Y(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form YO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with two equivalent Y(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There is one shorter (2.19 Å) and one longer (2.22 Å) Y(1)-O(1) bond length. Both Y(1)-O(2) bond lengths are 2.13 Å. Mo(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MoO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra and corners with two equivalent Y(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. Both Mo(1)-O(2) bond lengths are 2.20 Å. There are two shorter (2.15 Å) and two longer (2.18 Å) Mo(1)-O(3) bond lengths. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Y(1) atoms to form OCa2Y2 tetrahedra that share corners with two equivalent O(1)Ca2Y2 tetrahedra and corners with eight equivalent O(2)Ca2YMo trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Ca(1), one Y(1), and one Mo(1) atom to form distorted OCa2YMo trigonal pyramids that share corners with four equivalent O(1)Ca2Y2 tetrahedra and corners with four equivalent O(2)Ca2YMo trigonal pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Mo(1) atoms.