CaMoO4 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mo(1), and one O(1) atom. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Mo(1) atoms to form a mixture of corner and edge-sharing OCa2Mo2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Ca(1) and two equivalent Mo(1) atoms to form a mixture of corner and edge-sharing OCa2Mo2 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Mo(1), and one O(4) atom.
CaMoO4 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. The Ca(1)-O(4) bond length is 2.40 Å. There is one shorter (2.43 Å) and one longer (2.61 Å) Ca(1)-O(1) bond length. There is one shorter (2.30 Å) and one longer (2.32 Å) Ca(1)-O(2) bond length. There is one shorter (2.43 Å) and one longer (2.49 Å) Ca(1)-O(3) bond length. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. The Mo(1)-O(1) bond length is 2.23 Å. The Mo(1)-O(4) bond length is 2.05 Å. There is one shorter (2.03 Å) and one longer (2.08 Å) Mo(1)-O(2) bond length. There is one shorter (2.06 Å) and one longer (2.09 Å) Mo(1)-O(3) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mo(1), and one O(1) atom. The O(1)-O(1) bond length is 1.51 Å. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Mo(1) atoms to form a mixture of corner and edge-sharing OCa2Mo2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Ca(1) and two equivalent Mo(1) atoms to form a mixture of corner and edge-sharing OCa2Mo2 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Mo(1), and one O(4) atom. The O(4)-O(4) bond length is 1.50 Å.