Fe4Zn3(SbO4)6 crystallizes in the triclinic P-1 space group. 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 Sb(3)O4 tetrahedra, corners with two equivalent Sb(1)O4 tetrahedra, corners with three equivalent Sb(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 Sb(1)O4 tetrahedra, corners with two equivalent Sb(2)O4 tetrahedra, corners with two equivalent Sb(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 distorted 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 ZnO5 trigonal bipyramids that share  a cornercorner with one Sb(2)O4 tetrahedra, corners with two equivalent Sb(1)O4 tetrahedra, corners with two equivalent Sb(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(10), one O(11), one O(3), and one O(6) atom to form SbO4 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 31-61°. In the second Sb site, Sb(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form SbO4 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 50-56°. In the third Sb site, Sb(3) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form SbO4 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 25-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Zn(1) and one Sb(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(2) and one Sb(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Zn(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one Sb(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(2), one Zn(2), and one Sb(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(1), one Zn(2), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(1), one Zn(2), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Fe(2) and one Sb(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(1) and one Sb(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(2) and one Sb(1) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(2), one Zn(2), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(2) and one Sb(3) atom.
Fe4Zn3(SbO4)6 crystallizes in the triclinic P-1 space group. 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 Sb(3)O4 tetrahedra, corners with two equivalent Sb(1)O4 tetrahedra, corners with three equivalent Sb(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 2.09 Å. The Fe(1)-O(6) bond length is 2.07 Å. The Fe(1)-O(7) bond length is 2.02 Å. The Fe(1)-O(9) bond length is 1.90 Å. There is one shorter (2.07 Å) and one longer (2.14 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 Sb(1)O4 tetrahedra, corners with two equivalent Sb(2)O4 tetrahedra, corners with two equivalent Sb(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 1.95 Å. The Fe(2)-O(11) bond length is 2.02 Å. The Fe(2)-O(12) bond length is 1.92 Å. The Fe(2)-O(5) bond length is 2.14 Å. There is one shorter (2.02 Å) and one longer (2.16 Å) Fe(2)-O(8) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. Both Zn(1)-O(1) bond lengths are 1.96 Å. Both Zn(1)-O(3) bond lengths are 2.18 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 ZnO5 trigonal bipyramids that share  a cornercorner with one Sb(2)O4 tetrahedra, corners with two equivalent Sb(1)O4 tetrahedra, corners with two equivalent Sb(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 2.13 Å. The Zn(2)-O(2) bond length is 1.99 Å. The Zn(2)-O(5) bond length is 2.05 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 three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(10), one O(11), one O(3), and one O(6) atom to form SbO4 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 31-61°. The Sb(1)-O(10) bond length is 1.88 Å. The Sb(1)-O(11) bond length is 1.92 Å. The Sb(1)-O(3) bond length is 1.94 Å. The Sb(1)-O(6) bond length is 1.92 Å. In the second Sb site, Sb(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form SbO4 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 50-56°. The Sb(2)-O(1) bond length is 1.88 Å. The Sb(2)-O(4) bond length is 1.94 Å. The Sb(2)-O(7) bond length is 1.92 Å. The Sb(2)-O(8) bond length is 1.91 Å. In the third Sb site, Sb(3) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form SbO4 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 25-54°. The Sb(3)-O(12) bond length is 1.88 Å. The Sb(3)-O(2) bond length is 1.91 Å. The Sb(3)-O(5) bond length is 1.92 Å. The Sb(3)-O(9) bond length is 1.89 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Zn(1) and one Sb(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(2) and one Sb(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Zn(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one Sb(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(2), one Zn(2), and one Sb(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(1), one Zn(2), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(1), one Zn(2), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Fe(2) and one Sb(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(1) and one Sb(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(2) and one Sb(1) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(2), one Zn(2), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(2) and one Sb(3) atom.