K4Mo4CoO15 crystallizes in the trigonal P-3 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(5), and three equivalent O(4) atoms. In the second K site, K(2) is bonded to six equivalent O(5) atoms to form KO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra and faces with two equivalent K(3)O12 cuboctahedra. In the third K site, K(3) is bonded to six equivalent O(2) and six equivalent O(5) atoms to form distorted KO12 cuboctahedra that share edges with six equivalent Mo(1)O4 tetrahedra and faces with two equivalent K(2)O6 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form MoO4 tetrahedra that share  a cornercorner with one K(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  an edgeedge with one K(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-49°. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. Co(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 1-coordinate geometry to one K(2), one K(3), two equivalent K(1), and one Mo(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Co(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one Mo(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mo(1), and one Co(1) atom. In the fifth O site, O(4) is bonded to three equivalent K(1) and one Mo(2) atom to form a mixture of distorted corner and edge-sharing OK3Mo tetrahedra.
K4Mo4CoO15 crystallizes in the trigonal P-3 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(5), and three equivalent O(4) atoms. The K(1)-O(2) bond length is 2.77 Å. There is one shorter (2.86 Å) and one longer (2.98 Å) K(1)-O(3) bond length. There is one shorter (2.88 Å) and one longer (3.33 Å) K(1)-O(5) bond length. There are a spread of K(1)-O(4) bond distances ranging from 2.68-2.90 Å. In the second K site, K(2) is bonded to six equivalent O(5) atoms to form KO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra and faces with two equivalent K(3)O12 cuboctahedra. All K(2)-O(5) bond lengths are 2.88 Å. In the third K site, K(3) is bonded to six equivalent O(2) and six equivalent O(5) atoms to form distorted KO12 cuboctahedra that share edges with six equivalent Mo(1)O4 tetrahedra and faces with two equivalent K(2)O6 octahedra. All K(3)-O(2) bond lengths are 2.83 Å. All K(3)-O(5) bond lengths are 3.32 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form MoO4 tetrahedra that share  a cornercorner with one K(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  an edgeedge with one K(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-49°. The Mo(1)-O(1) bond length is 1.86 Å. The Mo(1)-O(2) bond length is 1.76 Å. The Mo(1)-O(3) bond length is 1.82 Å. The Mo(1)-O(5) bond length is 1.78 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. All Mo(2)-O(1) bond lengths are 2.25 Å. All Mo(2)-O(4) bond lengths are 1.78 Å. Co(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra. All Co(1)-O(1) bond lengths are 2.14 Å. All Co(1)-O(3) bond lengths are 2.08 Å. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 1-coordinate geometry to one K(2), one K(3), two equivalent K(1), and one Mo(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Co(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one Mo(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mo(1), and one Co(1) atom. In the fifth O site, O(4) is bonded to three equivalent K(1) and one Mo(2) atom to form a mixture of distorted corner and edge-sharing OK3Mo tetrahedra.