K4Co(MoO4)3 crystallizes in the triclinic P-1 space group. There are five inequivalent K sites. In the first K site, K(1) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(2) atoms to form KO6 octahedra that share corners with two equivalent K(4)O6 octahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(7), and one O(8) atom. In the third K site, K(3) is bonded in a 7-coordinate geometry to one O(12), one O(3), one O(7), two equivalent O(10), and two equivalent O(4) atoms. In the fourth K site, K(4) is bonded to one O(1), one O(10), one O(3), one O(7), and two equivalent O(6) atoms to form KO6 octahedra that share  a cornercorner with one K(1)O6 octahedra,  a cornercorner with one Mo(3)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and  an edgeedge with one K(4)O6 octahedra. The corner-sharing octahedral tilt angles are 74°. In the fifth K site, K(5) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(2), and two equivalent O(5) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(12), one O(3), and one O(5) atom to form distorted MoO4 tetrahedra that share  a cornercorner with one K(1)O6 octahedra, corners with two equivalent K(4)O6 octahedra, and corners with two equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-62°. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one K(1)O6 octahedra, corners with three equivalent K(4)O6 octahedra, and  a cornercorner with one Co(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-56°. In the third Mo site, Mo(3) is bonded to one O(10), one O(11), one O(8), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one K(1)O6 octahedra,  a cornercorner with one K(4)O6 octahedra, and corners with two equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 51-55°. Co(1) is bonded to one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one K(4), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one K(5), and one Mo(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(2), one K(3), one K(4), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(3), one Mo(2), and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one K(5), one Mo(1), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent K(4) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(2), one K(3), one K(4), and one Mo(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(2), one Mo(3), and one Co(1) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Mo(3) and one Co(1) atom. In the tenth O site, O(10) is bonded to one K(4), two equivalent K(3), and one Mo(3) atom to form distorted edge-sharing OK3Mo trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one K(5), and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one K(2), one K(3), one Mo(1), and one Co(1) atom.
K4Co(MoO4)3 crystallizes in the triclinic P-1 space group. There are five inequivalent K sites. In the first K site, K(1) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(2) atoms to form KO6 octahedra that share corners with two equivalent K(4)O6 octahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. Both K(1)-O(1) bond lengths are 2.75 Å. Both K(1)-O(11) bond lengths are 2.77 Å. Both K(1)-O(2) bond lengths are 2.96 Å. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(7), and one O(8) atom. The K(2)-O(11) bond length is 2.81 Å. The K(2)-O(12) bond length is 2.87 Å. The K(2)-O(2) bond length is 2.76 Å. The K(2)-O(3) bond length is 2.89 Å. The K(2)-O(7) bond length is 2.66 Å. The K(2)-O(8) bond length is 2.75 Å. In the third K site, K(3) is bonded in a 7-coordinate geometry to one O(12), one O(3), one O(7), two equivalent O(10), and two equivalent O(4) atoms. The K(3)-O(12) bond length is 3.06 Å. The K(3)-O(3) bond length is 3.17 Å. The K(3)-O(7) bond length is 3.17 Å. There is one shorter (2.75 Å) and one longer (2.82 Å) K(3)-O(10) bond length. There is one shorter (2.90 Å) and one longer (3.00 Å) K(3)-O(4) bond length. In the fourth K site, K(4) is bonded to one O(1), one O(10), one O(3), one O(7), and two equivalent O(6) atoms to form KO6 octahedra that share  a cornercorner with one K(1)O6 octahedra,  a cornercorner with one Mo(3)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and  an edgeedge with one K(4)O6 octahedra. The corner-sharing octahedral tilt angles are 74°. The K(4)-O(1) bond length is 2.70 Å. The K(4)-O(10) bond length is 2.84 Å. The K(4)-O(3) bond length is 2.83 Å. The K(4)-O(7) bond length is 2.67 Å. There is one shorter (2.68 Å) and one longer (2.84 Å) K(4)-O(6) bond length. In the fifth K site, K(5) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(2), and two equivalent O(5) atoms. Both K(5)-O(11) bond lengths are 3.07 Å. Both K(5)-O(2) bond lengths are 2.80 Å. Both K(5)-O(5) bond lengths are 2.97 Å. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(12), one O(3), and one O(5) atom to form distorted MoO4 tetrahedra that share  a cornercorner with one K(1)O6 octahedra, corners with two equivalent K(4)O6 octahedra, and corners with two equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-62°. The Mo(1)-O(1) bond length is 1.78 Å. The Mo(1)-O(12) bond length is 1.83 Å. The Mo(1)-O(3) bond length is 1.78 Å. The Mo(1)-O(5) bond length is 1.83 Å. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one K(1)O6 octahedra, corners with three equivalent K(4)O6 octahedra, and  a cornercorner with one Co(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-56°. The Mo(2)-O(2) bond length is 1.79 Å. The Mo(2)-O(4) bond length is 1.83 Å. The Mo(2)-O(6) bond length is 1.78 Å. The Mo(2)-O(7) bond length is 1.79 Å. In the third Mo site, Mo(3) is bonded to one O(10), one O(11), one O(8), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one K(1)O6 octahedra,  a cornercorner with one K(4)O6 octahedra, and corners with two equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 51-55°. The Mo(3)-O(10) bond length is 1.79 Å. The Mo(3)-O(11) bond length is 1.79 Å. The Mo(3)-O(8) bond length is 1.82 Å. The Mo(3)-O(9) bond length is 1.81 Å. Co(1) is bonded to one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. The Co(1)-O(12) bond length is 1.99 Å. The Co(1)-O(4) bond length is 2.06 Å. The Co(1)-O(5) bond length is 1.96 Å. The Co(1)-O(8) bond length is 2.02 Å. The Co(1)-O(9) bond length is 2.35 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one K(4), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one K(5), and one Mo(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(2), one K(3), one K(4), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(3), one Mo(2), and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one K(5), one Mo(1), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent K(4) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(2), one K(3), one K(4), and one Mo(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(2), one Mo(3), and one Co(1) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Mo(3) and one Co(1) atom. In the tenth O site, O(10) is bonded to one K(4), two equivalent K(3), and one Mo(3) atom to form distorted edge-sharing OK3Mo trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one K(5), and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one K(2), one K(3), one Mo(1), and one Co(1) atom.