V3Co5O16 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Co site, Co(2) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Co(3)O6 octahedra, corners with four equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the third Co site, Co(3) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the fourth Co site, Co(4) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Co(2) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent V(2) and one Co(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one Co(1), and one Co(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one Co(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one Co(3), and one Co(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to two equivalent V(2) and one Co(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(1), one Co(1), and one Co(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(2) and one Co(4) atom.
V3Co5O16 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. The V(1)-O(3) bond length is 2.01 Å. The V(1)-O(4) bond length is 1.81 Å. Both V(1)-O(11) bond lengths are 1.84 Å. Both V(1)-O(6) bond lengths are 1.97 Å. In the second V site, V(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. The V(2)-O(1) bond length is 1.80 Å. The V(2)-O(10) bond length is 1.93 Å. The V(2)-O(12) bond length is 1.95 Å. The V(2)-O(5) bond length is 1.90 Å. The V(2)-O(8) bond length is 1.91 Å. The V(2)-O(9) bond length is 1.95 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. The Co(1)-O(11) bond length is 1.93 Å. The Co(1)-O(2) bond length is 1.89 Å. The Co(1)-O(3) bond length is 1.87 Å. The Co(1)-O(4) bond length is 1.97 Å. The Co(1)-O(6) bond length is 1.88 Å. The Co(1)-O(7) bond length is 1.87 Å. In the second Co site, Co(2) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Co(3)O6 octahedra, corners with four equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. The Co(2)-O(2) bond length is 1.88 Å. The Co(2)-O(8) bond length is 1.95 Å. Both Co(2)-O(1) bond lengths are 1.94 Å. Both Co(2)-O(6) bond lengths are 1.88 Å. In the third Co site, Co(3) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. The Co(3)-O(10) bond length is 1.90 Å. The Co(3)-O(5) bond length is 1.94 Å. Both Co(3)-O(1) bond lengths are 2.00 Å. Both Co(3)-O(9) bond lengths are 1.88 Å. In the fourth Co site, Co(4) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. The Co(4)-O(12) bond length is 1.90 Å. The Co(4)-O(7) bond length is 1.95 Å. Both Co(4)-O(11) bond lengths are 1.93 Å. Both Co(4)-O(9) bond lengths are 1.89 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Co(2) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent V(2) and one Co(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one Co(1), and one Co(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(4) and two equivalent Co(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one Co(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one Co(3), and one Co(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to two equivalent V(2) and one Co(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(1), one Co(1), and one Co(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(2) and one Co(4) atom.