Ca(MoO2)4 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second Mo site, Mo(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mo(2) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Mo(2) atoms. In the third O site, O(3) is bonded to two equivalent Ca(1) and three equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing OCa2Mo3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Ca(1) and three equivalent Mo(2) atoms to form a mixture of distorted corner and edge-sharing OCa2Mo3 trigonal bipyramids.
Ca(MoO2)4 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are two shorter (2.79 Å) and two longer (2.81 Å) Ca(1)-O(3) bond lengths. There are two shorter (2.69 Å) and two longer (2.89 Å) Ca(1)-O(4) bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. The Mo(1)-O(2) bond length is 2.02 Å. There is one shorter (2.06 Å) and one longer (2.09 Å) Mo(1)-O(1) bond length. There are a spread of Mo(1)-O(3) bond distances ranging from 2.17-2.24 Å. In the second Mo site, Mo(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. The Mo(2)-O(1) bond length is 2.01 Å. There is one shorter (2.04 Å) and one longer (2.07 Å) Mo(2)-O(2) bond length. There are a spread of Mo(2)-O(4) bond distances ranging from 2.16-2.24 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mo(2) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Mo(2) atoms. In the third O site, O(3) is bonded to two equivalent Ca(1) and three equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing OCa2Mo3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Ca(1) and three equivalent Mo(2) atoms to form a mixture of distorted corner and edge-sharing OCa2Mo3 trigonal bipyramids.