K(MoO2)4 crystallizes in the tetragonal P4/n space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. In the second K site, K(2) 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(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mo(2), and two equivalent Mo(1) atoms. In the second O site, O(1) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Mo(2) atoms. In the third O site, O(2) is bonded in a trigonal planar geometry to one Mo(2) and two equivalent Mo(1) atoms. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mo(1), and two equivalent Mo(2) atoms.
K(MoO2)4 crystallizes in the tetragonal P4/n space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. All K(1)-O(3) bond lengths are 3.16 Å. All K(1)-O(4) bond lengths are 3.01 Å. In the second K site, K(2) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. All K(2)-O(3) bond lengths are 3.12 Å. All K(2)-O(4) bond lengths are 3.08 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. The Mo(1)-O(1) bond length is 2.10 Å. The Mo(1)-O(3) bond length is 2.15 Å. There is one shorter (2.07 Å) and one longer (2.14 Å) Mo(1)-O(2) bond length. There is one shorter (2.13 Å) and one longer (2.14 Å) Mo(1)-O(4) bond length. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. The Mo(2)-O(2) bond length is 2.02 Å. The Mo(2)-O(4) bond length is 2.16 Å. There is one shorter (2.00 Å) and one longer (2.10 Å) Mo(2)-O(1) bond length. There is one shorter (2.09 Å) and one longer (2.13 Å) Mo(2)-O(3) bond length. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mo(2), and two equivalent Mo(1) atoms. In the second O site, O(1) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Mo(2) atoms. In the third O site, O(2) is bonded in a trigonal planar geometry to one Mo(2) and two equivalent Mo(1) atoms. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mo(1), and two equivalent Mo(2) atoms.