TaCoZn2O6 is pyrite-derived structured and crystallizes in the monoclinic P2_1/m space group. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Zn site, Zn(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ta(1), one Co(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ta(1), one Co(1), and one Zn(2) atom. In the third O site, O(3) is bonded to two equivalent Ta(1), one Zn(1), and one Zn(2) atom to form distorted OTa2Zn2 trigonal pyramids that share corners with two equivalent O(4)Zn2Co2 tetrahedra and corners with two equivalent O(3)Ta2Zn2 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Co(1), one Zn(1), and one Zn(2) atom to form OZn2Co2 tetrahedra that share corners with two equivalent O(4)Zn2Co2 tetrahedra and corners with two equivalent O(3)Ta2Zn2 trigonal pyramids.
TaCoZn2O6 is pyrite-derived structured and crystallizes in the monoclinic P2_1/m space group. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. Both Ta(1)-O(1) bond lengths are 1.98 Å. Both Ta(1)-O(2) bond lengths are 2.01 Å. Both Ta(1)-O(3) bond lengths are 2.02 Å. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. Both Co(1)-O(1) bond lengths are 1.91 Å. Both Co(1)-O(2) bond lengths are 1.95 Å. Both Co(1)-O(4) bond lengths are 2.03 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), and two equivalent O(1) atoms. The Zn(1)-O(3) bond length is 2.33 Å. The Zn(1)-O(4) bond length is 2.01 Å. Both Zn(1)-O(1) bond lengths are 2.05 Å. In the second Zn site, Zn(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. The Zn(2)-O(3) bond length is 2.08 Å. The Zn(2)-O(4) bond length is 2.07 Å. Both Zn(2)-O(2) bond lengths are 2.10 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ta(1), one Co(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ta(1), one Co(1), and one Zn(2) atom. In the third O site, O(3) is bonded to two equivalent Ta(1), one Zn(1), and one Zn(2) atom to form distorted OTa2Zn2 trigonal pyramids that share corners with two equivalent O(4)Zn2Co2 tetrahedra and corners with two equivalent O(3)Ta2Zn2 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Co(1), one Zn(1), and one Zn(2) atom to form OZn2Co2 tetrahedra that share corners with two equivalent O(4)Zn2Co2 tetrahedra and corners with two equivalent O(3)Ta2Zn2 trigonal pyramids.