CoTa2O6 is Rutile-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(11), one O(3), one O(4), one O(5), one O(7), and one O(9) atom to form TaO6 octahedra that share corners with two equivalent Ta(3)O6 octahedra, corners with two equivalent Ta(4)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Ta(2)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. In the second Ta site, Ta(2) is bonded to one O(10), one O(12), one O(3), one O(4), one O(6), and one O(8) atom to form TaO6 octahedra that share corners with two equivalent Ta(3)O6 octahedra, corners with two equivalent Ta(4)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the third Ta site, Ta(3) is bonded to one O(1), one O(12), one O(2), one O(5), one O(8), and one O(9) atom to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  an edgeedge with one Ta(4)O6 octahedra, and  an edgeedge with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. In the fourth Ta site, Ta(4) is bonded to one O(1), one O(10), one O(11), one O(2), one O(6), and one O(7) atom to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  an edgeedge with one Ta(3)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with four equivalent Ta(3)O6 octahedra, corners with four equivalent Ta(4)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Co site, Co(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Ta(2)O6 octahedra, and edges with two equivalent Ta(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the third Co site, Co(3) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(2) atoms to form CoO6 octahedra that share corners with four equivalent Ta(3)O6 octahedra, corners with four equivalent Ta(4)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the fourth Co site, Co(4) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Ta(2)O6 octahedra, and edges with two equivalent Ta(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ta(3), one Ta(4), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(3), one Ta(4), and one Co(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Co(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ta(1), one Ta(2), and one Co(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(3), and one Co(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ta(2), one Ta(4), and one Co(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(4), and one Co(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ta(2), one Ta(3), and one Co(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(3), and one Co(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ta(2), one Ta(4), and one Co(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(4), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ta(2), one Ta(3), and one Co(3) atom.
CoTa2O6 is Rutile-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(11), one O(3), one O(4), one O(5), one O(7), and one O(9) atom to form TaO6 octahedra that share corners with two equivalent Ta(3)O6 octahedra, corners with two equivalent Ta(4)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Ta(2)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. The Ta(1)-O(11) bond length is 1.95 Å. The Ta(1)-O(3) bond length is 2.00 Å. The Ta(1)-O(4) bond length is 2.00 Å. The Ta(1)-O(5) bond length is 2.03 Å. The Ta(1)-O(7) bond length is 1.97 Å. The Ta(1)-O(9) bond length is 1.99 Å. In the second Ta site, Ta(2) is bonded to one O(10), one O(12), one O(3), one O(4), one O(6), and one O(8) atom to form TaO6 octahedra that share corners with two equivalent Ta(3)O6 octahedra, corners with two equivalent Ta(4)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. The Ta(2)-O(10) bond length is 1.98 Å. The Ta(2)-O(12) bond length is 1.97 Å. The Ta(2)-O(3) bond length is 2.00 Å. The Ta(2)-O(4) bond length is 1.99 Å. The Ta(2)-O(6) bond length is 1.98 Å. The Ta(2)-O(8) bond length is 1.99 Å. In the third Ta site, Ta(3) is bonded to one O(1), one O(12), one O(2), one O(5), one O(8), and one O(9) atom to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  an edgeedge with one Ta(4)O6 octahedra, and  an edgeedge with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. The Ta(3)-O(1) bond length is 2.00 Å. The Ta(3)-O(12) bond length is 1.98 Å. The Ta(3)-O(2) bond length is 2.01 Å. The Ta(3)-O(5) bond length is 1.99 Å. The Ta(3)-O(8) bond length is 1.95 Å. The Ta(3)-O(9) bond length is 2.03 Å. In the fourth Ta site, Ta(4) is bonded to one O(1), one O(10), one O(11), one O(2), one O(6), and one O(7) atom to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  an edgeedge with one Ta(3)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. The Ta(4)-O(1) bond length is 1.99 Å. The Ta(4)-O(10) bond length is 1.98 Å. The Ta(4)-O(11) bond length is 1.99 Å. The Ta(4)-O(2) bond length is 2.00 Å. The Ta(4)-O(6) bond length is 1.98 Å. The Ta(4)-O(7) bond length is 1.98 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with four equivalent Ta(3)O6 octahedra, corners with four equivalent Ta(4)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Both Co(1)-O(1) bond lengths are 2.09 Å. Both Co(1)-O(11) bond lengths are 2.11 Å. Both Co(1)-O(9) bond lengths are 2.01 Å. In the second Co site, Co(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Ta(2)O6 octahedra, and edges with two equivalent Ta(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. Both Co(2)-O(3) bond lengths are 2.07 Å. Both Co(2)-O(6) bond lengths are 2.09 Å. Both Co(2)-O(7) bond lengths are 2.12 Å. In the third Co site, Co(3) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(2) atoms to form CoO6 octahedra that share corners with four equivalent Ta(3)O6 octahedra, corners with four equivalent Ta(4)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. Both Co(3)-O(10) bond lengths are 2.09 Å. Both Co(3)-O(12) bond lengths are 2.12 Å. Both Co(3)-O(2) bond lengths are 2.07 Å. In the fourth Co site, Co(4) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Ta(2)O6 octahedra, and edges with two equivalent Ta(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Both Co(4)-O(4) bond lengths are 2.08 Å. Both Co(4)-O(5) bond lengths are 2.01 Å. Both Co(4)-O(8) bond lengths are 2.12 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ta(3), one Ta(4), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(3), one Ta(4), and one Co(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Co(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ta(1), one Ta(2), and one Co(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(3), and one Co(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ta(2), one Ta(4), and one Co(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(4), and one Co(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ta(2), one Ta(3), and one Co(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(3), and one Co(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ta(2), one Ta(4), and one Co(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(4), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ta(2), one Ta(3), and one Co(3) atom.