Ta6Zn3(FeO6)4 crystallizes in the triclinic P-1 space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(10), one O(11), one O(3), and one O(6) atom to form TaO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Zn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 19-64°. In the second Ta site, Ta(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form distorted TaO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and  a cornercorner with one Zn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-63°. In the third Ta site, Ta(3) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form TaO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Zn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 18-51°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(6), one O(7), one O(9), and two equivalent O(4) atoms to form FeO6 octahedra that share  a cornercorner with one Ta(3)O4 tetrahedra, corners with two equivalent Ta(1)O4 tetrahedra, corners with three equivalent Ta(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(5), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Ta(1)O4 tetrahedra, corners with two equivalent Ta(2)O4 tetrahedra, corners with two equivalent Ta(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded to one O(11), one O(2), one O(5), one O(6), and one O(7) atom to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one Ta(2)O4 tetrahedra, corners with two equivalent Ta(1)O4 tetrahedra, corners with two equivalent Ta(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ta(2) and one Zn(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ta(3) and one Zn(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ta(1), one Fe(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ta(2) and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ta(3), one Fe(2), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ta(1), one Fe(1), and one Zn(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ta(2), one Fe(1), and one Zn(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ta(2) and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ta(3) and one Fe(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Ta(1) and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ta(1), one Fe(2), and one Zn(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ta(3) and one Fe(2) atom.
Ta6Zn3(FeO6)4 crystallizes in the triclinic P-1 space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(10), one O(11), one O(3), and one O(6) atom to form TaO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Zn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 19-64°. The Ta(1)-O(10) bond length is 1.83 Å. The Ta(1)-O(11) bond length is 1.90 Å. The Ta(1)-O(3) bond length is 1.90 Å. The Ta(1)-O(6) bond length is 1.87 Å. In the second Ta site, Ta(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form distorted TaO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and  a cornercorner with one Zn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-63°. The Ta(2)-O(1) bond length is 1.82 Å. The Ta(2)-O(4) bond length is 1.93 Å. The Ta(2)-O(7) bond length is 1.88 Å. The Ta(2)-O(8) bond length is 1.89 Å. In the third Ta site, Ta(3) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form TaO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Zn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 18-51°. The Ta(3)-O(12) bond length is 1.84 Å. The Ta(3)-O(2) bond length is 1.86 Å. The Ta(3)-O(5) bond length is 1.91 Å. The Ta(3)-O(9) bond length is 1.86 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(6), one O(7), one O(9), and two equivalent O(4) atoms to form FeO6 octahedra that share  a cornercorner with one Ta(3)O4 tetrahedra, corners with two equivalent Ta(1)O4 tetrahedra, corners with three equivalent Ta(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. The Fe(1)-O(3) bond length is 2.07 Å. The Fe(1)-O(6) bond length is 2.09 Å. The Fe(1)-O(7) bond length is 2.01 Å. The Fe(1)-O(9) bond length is 1.91 Å. There is one shorter (2.07 Å) and one longer (2.16 Å) Fe(1)-O(4) bond length. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(5), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Ta(1)O4 tetrahedra, corners with two equivalent Ta(2)O4 tetrahedra, corners with two equivalent Ta(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. The Fe(2)-O(10) bond length is 1.96 Å. The Fe(2)-O(11) bond length is 2.05 Å. The Fe(2)-O(12) bond length is 1.95 Å. The Fe(2)-O(5) bond length is 2.14 Å. There is one shorter (2.00 Å) and one longer (2.15 Å) Fe(2)-O(8) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. Both Zn(1)-O(1) bond lengths are 1.94 Å. Both Zn(1)-O(3) bond lengths are 2.22 Å. In the second Zn site, Zn(2) is bonded to one O(11), one O(2), one O(5), one O(6), and one O(7) atom to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one Ta(2)O4 tetrahedra, corners with two equivalent Ta(1)O4 tetrahedra, corners with two equivalent Ta(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The Zn(2)-O(11) bond length is 2.19 Å. The Zn(2)-O(2) bond length is 1.95 Å. The Zn(2)-O(5) bond length is 2.04 Å. The Zn(2)-O(6) bond length is 2.03 Å. The Zn(2)-O(7) bond length is 2.11 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ta(2) and one Zn(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ta(3) and one Zn(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ta(1), one Fe(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ta(2) and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ta(3), one Fe(2), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ta(1), one Fe(1), and one Zn(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ta(2), one Fe(1), and one Zn(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ta(2) and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ta(3) and one Fe(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Ta(1) and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ta(1), one Fe(2), and one Zn(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ta(3) and one Fe(2) atom.