Al4(FeO4)3 crystallizes in the triclinic P1 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(16), one O(3), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(7)O6 octahedra,  a cornercorner with one Al(8)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, corners with two equivalent Al(4)O6 octahedra, and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the second Fe site, Fe(2) is bonded to one O(1), one O(21), one O(22), one O(24), one O(3), and one O(4) atom to form FeO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra,  an edgeedge with one Al(7)O6 octahedra, and  an edgeedge with one Al(8)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(11), one O(2), one O(5), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(6)O6 octahedra, and corners with three equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the fourth Fe site, Fe(4) is bonded to one O(13), one O(17), one O(19), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with two equivalent Al(5)O6 octahedra, corners with two equivalent Al(7)O6 octahedra, and corners with two equivalent Al(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(18), one O(6), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, corners with two equivalent Al(4)O6 octahedra, and corners with three equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. In the sixth Fe site, Fe(6) is bonded to one O(14), one O(15), one O(20), and one O(23) atom to form FeO4 tetrahedra that share  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(7)O6 octahedra,  a cornercorner with one Al(8)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, and corners with two equivalent Al(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. There are eight inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(11), one O(14), one O(18), one O(20), one O(5), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, and edges with two equivalent Al(6)O6 octahedra. In the second Al site, Al(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom to form AlO6 octahedra that share  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. In the third Al site, Al(3) is bonded to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(9) atom to form AlO6 octahedra that share corners with three equivalent Fe(3)O4 tetrahedra, corners with three equivalent Fe(5)O4 tetrahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra, and  an edgeedge with one Al(6)O6 octahedra. In the fourth Al site, Al(4) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(7) atom to form AlO6 octahedra that share  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. In the fifth Al site, Al(5) is bonded to one O(13), one O(16), one O(17), one O(22), one O(23), and one O(24) atom to form AlO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Al(7)O6 octahedra, and edges with two equivalent Al(8)O6 octahedra. In the sixth Al site, Al(6) is bonded to one O(15), one O(18), one O(20), one O(5), one O(8), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. In the seventh Al site, Al(7) is bonded to one O(16), one O(17), one O(19), one O(21), one O(22), and one O(23) atom to form AlO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Al(5)O6 octahedra, and edges with two equivalent Al(8)O6 octahedra. In the eighth Al site, Al(8) is bonded to one O(13), one O(16), one O(19), one O(21), one O(23), and one O(24) atom to form AlO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Al(5)O6 octahedra, and edges with two equivalent Al(7)O6 octahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Al(2), and one Al(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(3), one Al(2), and one Al(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Al(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Al(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Fe(3), one Al(1), one Al(3), and one Al(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(5), one Al(2), and one Al(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(5), one Al(3), and one Al(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(4), one Al(1), and one Al(6) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(3), one Al(3), and one Al(6) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Al(2) and one Al(4) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(3), one Al(1), and one Al(3) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Fe(5), one Al(2), one Al(3), and one Al(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(4), one Al(5), and one Al(8) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Fe(6) and one Al(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Fe(6) and one Al(6) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Al(5), one Al(7), and one Al(8) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Fe(4), one Al(5), and one Al(7) atom. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Fe(5), one Al(1), and one Al(6) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Fe(4), one Al(7), and one Al(8) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Fe(6), one Al(1), and one Al(6) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Al(7), and one Al(8) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Al(5), and one Al(7) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal pyramidal geometry to one Fe(6), one Al(5), one Al(7), and one Al(8) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Al(5), and one Al(8) atom.
Al4(FeO4)3 crystallizes in the triclinic P1 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(16), one O(3), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(7)O6 octahedra,  a cornercorner with one Al(8)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, corners with two equivalent Al(4)O6 octahedra, and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. The Fe(1)-O(1) bond length is 1.95 Å. The Fe(1)-O(16) bond length is 1.91 Å. The Fe(1)-O(3) bond length is 1.89 Å. The Fe(1)-O(4) bond length is 1.89 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(21), one O(22), one O(24), one O(3), and one O(4) atom to form FeO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra,  an edgeedge with one Al(7)O6 octahedra, and  an edgeedge with one Al(8)O6 octahedra. The Fe(2)-O(1) bond length is 2.08 Å. The Fe(2)-O(21) bond length is 1.89 Å. The Fe(2)-O(22) bond length is 1.89 Å. The Fe(2)-O(24) bond length is 1.88 Å. The Fe(2)-O(3) bond length is 1.96 Å. The Fe(2)-O(4) bond length is 1.96 Å. In the third Fe site, Fe(3) is bonded to one O(11), one O(2), one O(5), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(6)O6 octahedra, and corners with three equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. The Fe(3)-O(11) bond length is 1.90 Å. The Fe(3)-O(2) bond length is 1.90 Å. The Fe(3)-O(5) bond length is 1.95 Å. The Fe(3)-O(9) bond length is 1.90 Å. In the fourth Fe site, Fe(4) is bonded to one O(13), one O(17), one O(19), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with two equivalent Al(5)O6 octahedra, corners with two equivalent Al(7)O6 octahedra, and corners with two equivalent Al(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. The Fe(4)-O(13) bond length is 1.88 Å. The Fe(4)-O(17) bond length is 1.88 Å. The Fe(4)-O(19) bond length is 1.88 Å. The Fe(4)-O(8) bond length is 1.93 Å. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(18), one O(6), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, corners with two equivalent Al(4)O6 octahedra, and corners with three equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. The Fe(5)-O(12) bond length is 1.93 Å. The Fe(5)-O(18) bond length is 1.88 Å. The Fe(5)-O(6) bond length is 1.90 Å. The Fe(5)-O(7) bond length is 1.90 Å. In the sixth Fe site, Fe(6) is bonded to one O(14), one O(15), one O(20), and one O(23) atom to form FeO4 tetrahedra that share  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(7)O6 octahedra,  a cornercorner with one Al(8)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, and corners with two equivalent Al(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. The Fe(6)-O(14) bond length is 1.78 Å. The Fe(6)-O(15) bond length is 1.78 Å. The Fe(6)-O(20) bond length is 1.85 Å. The Fe(6)-O(23) bond length is 1.94 Å. There are eight inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(11), one O(14), one O(18), one O(20), one O(5), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, and edges with two equivalent Al(6)O6 octahedra. The Al(1)-O(11) bond length is 1.92 Å. The Al(1)-O(14) bond length is 1.87 Å. The Al(1)-O(18) bond length is 1.91 Å. The Al(1)-O(20) bond length is 1.88 Å. The Al(1)-O(5) bond length is 2.02 Å. The Al(1)-O(8) bond length is 1.92 Å. In the second Al site, Al(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom to form AlO6 octahedra that share  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra, and edges with two equivalent Al(4)O6 octahedra. The Al(2)-O(1) bond length is 1.96 Å. The Al(2)-O(10) bond length is 1.86 Å. The Al(2)-O(12) bond length is 2.00 Å. The Al(2)-O(2) bond length is 1.89 Å. The Al(2)-O(4) bond length is 1.89 Å. The Al(2)-O(6) bond length is 1.91 Å. In the third Al site, Al(3) is bonded to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(9) atom to form AlO6 octahedra that share corners with three equivalent Fe(3)O4 tetrahedra, corners with three equivalent Fe(5)O4 tetrahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra, and  an edgeedge with one Al(6)O6 octahedra. The Al(3)-O(11) bond length is 1.89 Å. The Al(3)-O(12) bond length is 1.97 Å. The Al(3)-O(5) bond length is 1.92 Å. The Al(3)-O(6) bond length is 1.91 Å. The Al(3)-O(7) bond length is 1.90 Å. The Al(3)-O(9) bond length is 1.89 Å. In the fourth Al site, Al(4) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(7) atom to form AlO6 octahedra that share  a cornercorner with one Fe(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. The Al(4)-O(1) bond length is 1.96 Å. The Al(4)-O(10) bond length is 1.86 Å. The Al(4)-O(12) bond length is 2.00 Å. The Al(4)-O(2) bond length is 1.90 Å. The Al(4)-O(3) bond length is 1.89 Å. The Al(4)-O(7) bond length is 1.91 Å. In the fifth Al site, Al(5) is bonded to one O(13), one O(16), one O(17), one O(22), one O(23), and one O(24) atom to form AlO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Al(7)O6 octahedra, and edges with two equivalent Al(8)O6 octahedra. The Al(5)-O(13) bond length is 1.86 Å. The Al(5)-O(16) bond length is 1.97 Å. The Al(5)-O(17) bond length is 1.86 Å. The Al(5)-O(22) bond length is 1.93 Å. The Al(5)-O(23) bond length is 1.98 Å. The Al(5)-O(24) bond length is 1.94 Å. In the sixth Al site, Al(6) is bonded to one O(15), one O(18), one O(20), one O(5), one O(8), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The Al(6)-O(15) bond length is 1.87 Å. The Al(6)-O(18) bond length is 1.91 Å. The Al(6)-O(20) bond length is 1.88 Å. The Al(6)-O(5) bond length is 2.02 Å. The Al(6)-O(8) bond length is 1.92 Å. The Al(6)-O(9) bond length is 1.92 Å. In the seventh Al site, Al(7) is bonded to one O(16), one O(17), one O(19), one O(21), one O(22), and one O(23) atom to form AlO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Al(5)O6 octahedra, and edges with two equivalent Al(8)O6 octahedra. The Al(7)-O(16) bond length is 1.96 Å. The Al(7)-O(17) bond length is 1.86 Å. The Al(7)-O(19) bond length is 1.86 Å. The Al(7)-O(21) bond length is 1.92 Å. The Al(7)-O(22) bond length is 1.92 Å. The Al(7)-O(23) bond length is 1.98 Å. In the eighth Al site, Al(8) is bonded to one O(13), one O(16), one O(19), one O(21), one O(23), and one O(24) atom to form AlO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Al(5)O6 octahedra, and edges with two equivalent Al(7)O6 octahedra. The Al(8)-O(13) bond length is 1.86 Å. The Al(8)-O(16) bond length is 1.97 Å. The Al(8)-O(19) bond length is 1.86 Å. The Al(8)-O(21) bond length is 1.93 Å. The Al(8)-O(23) bond length is 1.98 Å. The Al(8)-O(24) bond length is 1.94 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Al(2), and one Al(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(3), one Al(2), and one Al(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Al(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Al(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Fe(3), one Al(1), one Al(3), and one Al(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(5), one Al(2), and one Al(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(5), one Al(3), and one Al(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(4), one Al(1), and one Al(6) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(3), one Al(3), and one Al(6) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Al(2) and one Al(4) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(3), one Al(1), and one Al(3) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Fe(5), one Al(2), one Al(3), and one Al(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(4), one Al(5), and one Al(8) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Fe(6) and one Al(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Fe(6) and one Al(6) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Al(5), one Al(7), and one Al(8) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Fe(4), one Al(5), and one Al(7) atom. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Fe(5), one Al(1), and one Al(6) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Fe(4), one Al(7), and one Al(8) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Fe(6), one Al(1), and one Al(6) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Al(7), and one Al(8) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Al(5), and one Al(7) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal pyramidal geometry to one Fe(6), one Al(5), one Al(7), and one Al(8) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal non-coplanar geometry to one Fe(2), one Al(5), and one Al(8) atom.