Cr6Zn3(FeO6)4 crystallizes in the triclinic P-1 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(11), one O(3), and one O(6) atom to form CrO4 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 23-60°. In the second Cr site, Cr(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form CrO4 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 46-53°. In the third Cr site, Cr(3) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form CrO4 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 17-54°. 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 Cr(3)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with three equivalent Cr(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 Cr(1)O4 tetrahedra, corners with two equivalent Cr(2)O4 tetrahedra, corners with two equivalent Cr(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 ZnO5 trigonal bipyramids that share  a cornercorner with one Cr(2)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Cr(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 Cr(2) and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one Zn(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cr(1), one Fe(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(2) and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(3), one Fe(2), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(1), and one Zn(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Cr(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 Cr(2) and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Cr(3) and one Fe(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Cr(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 Cr(3) and one Fe(2) atom.
Cr6Zn3(FeO6)4 crystallizes in the triclinic P-1 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(11), one O(3), and one O(6) atom to form CrO4 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 23-60°. The Cr(1)-O(10) bond length is 1.62 Å. The Cr(1)-O(11) bond length is 1.69 Å. The Cr(1)-O(3) bond length is 1.70 Å. The Cr(1)-O(6) bond length is 1.69 Å. In the second Cr site, Cr(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form CrO4 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 46-53°. The Cr(2)-O(1) bond length is 1.74 Å. The Cr(2)-O(4) bond length is 1.86 Å. The Cr(2)-O(7) bond length is 1.88 Å. The Cr(2)-O(8) bond length is 1.78 Å. In the third Cr site, Cr(3) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form CrO4 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 17-54°. The Cr(3)-O(12) bond length is 1.63 Å. The Cr(3)-O(2) bond length is 1.68 Å. The Cr(3)-O(5) bond length is 1.71 Å. The Cr(3)-O(9) bond length is 1.67 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 Cr(3)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with three equivalent Cr(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 2.14 Å. The Fe(1)-O(6) bond length is 2.18 Å. The Fe(1)-O(7) bond length is 1.95 Å. The Fe(1)-O(9) bond length is 2.05 Å. Both Fe(1)-O(4) bond lengths are 2.01 Å. 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 Cr(1)O4 tetrahedra, corners with two equivalent Cr(2)O4 tetrahedra, corners with two equivalent Cr(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 2.15 Å. The Fe(2)-O(11) bond length is 2.12 Å. The Fe(2)-O(12) bond length is 2.10 Å. The Fe(2)-O(5) bond length is 2.17 Å. There is one shorter (1.99 Å) and one longer (2.12 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 1.85 Å. Both Zn(1)-O(3) bond lengths are 2.32 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 Cr(2)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Cr(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 2.16 Å. The Zn(2)-O(2) bond length is 1.98 Å. The Zn(2)-O(5) bond length is 2.06 Å. The Zn(2)-O(6) bond length is 2.11 Å. The Zn(2)-O(7) bond length is 1.97 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one Zn(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cr(1), one Fe(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(2) and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(3), one Fe(2), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(1), and one Zn(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Cr(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 Cr(2) and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Cr(3) and one Fe(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Cr(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 Cr(3) and one Fe(2) atom.