TlFeTl3Al3(As2O7)4 crystallizes in the triclinic P1 space group. The structure consists of one 7440-28-0 atom inside a FeTl3Al3(As2O7)4 framework. In the FeTl3Al3(As2O7)4 framework, Fe(1) is bonded to one O(14), one O(21), one O(25), one O(3), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one As(3)O4 tetrahedra,  a cornercorner with one As(6)O4 tetrahedra, and corners with two equivalent As(1)O4 tetrahedra. There are three inequivalent Tl sites. In the first Tl site, Tl(2) is bonded in a distorted linear geometry to one O(18) and one O(20) atom. In the second Tl site, Tl(3) is bonded in a 4-coordinate geometry to one O(1), one O(26), one O(27), and one O(4) atom. In the third Tl site, Tl(4) is bonded in a 4-coordinate geometry to one O(2), one O(25), one O(28), and one O(3) atom. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(13), one O(22), one O(26), one O(4), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one As(4)O4 tetrahedra,  a cornercorner with one As(5)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and corners with two equivalent As(8)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(1), one O(11), one O(16), one O(23), one O(27), and one O(5) atom to form AlO6 octahedra that share  a cornercorner with one As(1)O4 tetrahedra,  a cornercorner with one As(8)O4 tetrahedra, corners with two equivalent As(3)O4 tetrahedra, and corners with two equivalent As(5)O4 tetrahedra. In the third Al site, Al(3) is bonded to one O(12), one O(15), one O(2), one O(24), one O(28), and one O(6) atom to form AlO6 octahedra that share  a cornercorner with one As(2)O4 tetrahedra, corners with two equivalent As(4)O4 tetrahedra, and corners with two equivalent As(6)O4 tetrahedra. There are eight inequivalent As sites. In the first As site, As(1) is bonded to one O(19), one O(21), one O(25), and one O(5) atom to form distorted AsO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-65°. In the second As site, As(2) is bonded to one O(20), one O(22), one O(26), and one O(6) atom to form AsO4 tetrahedra that share  a cornercorner with one Al(3)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, and  a cornercorner with one As(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-60°. In the third As site, As(3) is bonded to one O(17), one O(23), one O(27), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, and  a cornercorner with one As(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-60°. In the fourth As site, As(4) is bonded to one O(18), one O(24), one O(28), and one O(8) atom to form AsO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and  a cornercorner with one As(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-60°. In the fifth As site, As(5) is bonded to one O(1), one O(11), one O(13), and one O(17) atom to form distorted AsO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, and  a cornercorner with one As(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-52°. In the sixth As site, As(6) is bonded to one O(12), one O(14), one O(18), and one O(2) atom to form distorted AsO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and  a cornercorner with one As(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-53°. In the seventh As site, As(7) is bonded in a distorted rectangular see-saw-like geometry to one O(15), one O(19), one O(3), and one O(9) atom. In the eighth As site, As(8) is bonded to one O(10), one O(16), one O(20), and one O(4) atom to form distorted AsO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, and  a cornercorner with one As(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-52°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Tl(3), one Al(2), and one As(5) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Tl(4), one Al(3), and one As(6) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Fe(1), one Tl(4), and one As(7) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Tl(3), one Al(1), and one As(8) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Al(2) and one As(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Al(3) and one As(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one As(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Al(1) and one As(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one As(7) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one As(8) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Al(2) and one As(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Al(3) and one As(6) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Al(1) and one As(5) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Fe(1) and one As(6) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Al(3) and one As(7) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Al(2) and one As(8) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one As(3) and one As(5) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Tl(2), one As(4), and one As(6) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one As(1) and one As(7) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Tl(2), one As(2), and one As(8) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one Fe(1) and one As(1) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one Al(1) and one As(2) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one Al(2) and one As(3) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Al(3) and one As(4) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 150 degrees geometry to one Fe(1), one Tl(4), and one As(1) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 150 degrees geometry to one Tl(3), one Al(1), and one As(2) atom. In the twenty-seventh O site, O(27) is bonded in a distorted bent 150 degrees geometry to one Tl(3), one Al(2), and one As(3) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 150 degrees geometry to one Tl(4), one Al(3), and one As(4) atom.
TlFeTl3Al3(As2O7)4 crystallizes in the triclinic P1 space group. The structure consists of one 7440-28-0 atom inside a FeTl3Al3(As2O7)4 framework. In the FeTl3Al3(As2O7)4 framework, Fe(1) is bonded to one O(14), one O(21), one O(25), one O(3), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one As(3)O4 tetrahedra,  a cornercorner with one As(6)O4 tetrahedra, and corners with two equivalent As(1)O4 tetrahedra. The Fe(1)-O(14) bond length is 2.10 Å. The Fe(1)-O(21) bond length is 2.01 Å. The Fe(1)-O(25) bond length is 1.96 Å. The Fe(1)-O(3) bond length is 2.03 Å. The Fe(1)-O(7) bond length is 2.18 Å. The Fe(1)-O(9) bond length is 2.03 Å. There are three inequivalent Tl sites. In the first Tl site, Tl(2) is bonded in a distorted linear geometry to one O(18) and one O(20) atom. The Tl(2)-O(18) bond length is 2.86 Å. The Tl(2)-O(20) bond length is 2.86 Å. In the second Tl site, Tl(3) is bonded in a 4-coordinate geometry to one O(1), one O(26), one O(27), and one O(4) atom. The Tl(3)-O(1) bond length is 2.73 Å. The Tl(3)-O(26) bond length is 2.77 Å. The Tl(3)-O(27) bond length is 2.77 Å. The Tl(3)-O(4) bond length is 2.72 Å. In the third Tl site, Tl(4) is bonded in a 4-coordinate geometry to one O(2), one O(25), one O(28), and one O(3) atom. The Tl(4)-O(2) bond length is 2.73 Å. The Tl(4)-O(25) bond length is 2.79 Å. The Tl(4)-O(28) bond length is 2.78 Å. The Tl(4)-O(3) bond length is 2.76 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(13), one O(22), one O(26), one O(4), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one As(4)O4 tetrahedra,  a cornercorner with one As(5)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and corners with two equivalent As(8)O4 tetrahedra. The Al(1)-O(10) bond length is 1.96 Å. The Al(1)-O(13) bond length is 2.01 Å. The Al(1)-O(22) bond length is 1.95 Å. The Al(1)-O(26) bond length is 1.92 Å. The Al(1)-O(4) bond length is 1.96 Å. The Al(1)-O(8) bond length is 2.07 Å. In the second Al site, Al(2) is bonded to one O(1), one O(11), one O(16), one O(23), one O(27), and one O(5) atom to form AlO6 octahedra that share  a cornercorner with one As(1)O4 tetrahedra,  a cornercorner with one As(8)O4 tetrahedra, corners with two equivalent As(3)O4 tetrahedra, and corners with two equivalent As(5)O4 tetrahedra. The Al(2)-O(1) bond length is 1.96 Å. The Al(2)-O(11) bond length is 1.96 Å. The Al(2)-O(16) bond length is 2.00 Å. The Al(2)-O(23) bond length is 1.95 Å. The Al(2)-O(27) bond length is 1.91 Å. The Al(2)-O(5) bond length is 2.07 Å. In the third Al site, Al(3) is bonded to one O(12), one O(15), one O(2), one O(24), one O(28), and one O(6) atom to form AlO6 octahedra that share  a cornercorner with one As(2)O4 tetrahedra, corners with two equivalent As(4)O4 tetrahedra, and corners with two equivalent As(6)O4 tetrahedra. The Al(3)-O(12) bond length is 1.96 Å. The Al(3)-O(15) bond length is 2.02 Å. The Al(3)-O(2) bond length is 1.97 Å. The Al(3)-O(24) bond length is 1.95 Å. The Al(3)-O(28) bond length is 1.92 Å. The Al(3)-O(6) bond length is 2.07 Å. There are eight inequivalent As sites. In the first As site, As(1) is bonded to one O(19), one O(21), one O(25), and one O(5) atom to form distorted AsO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-65°. The As(1)-O(19) bond length is 1.80 Å. The As(1)-O(21) bond length is 1.47 Å. The As(1)-O(25) bond length is 2.01 Å. The As(1)-O(5) bond length is 1.77 Å. In the second As site, As(2) is bonded to one O(20), one O(22), one O(26), and one O(6) atom to form AsO4 tetrahedra that share  a cornercorner with one Al(3)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, and  a cornercorner with one As(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-60°. The As(2)-O(20) bond length is 1.81 Å. The As(2)-O(22) bond length is 1.47 Å. The As(2)-O(26) bond length is 2.00 Å. The As(2)-O(6) bond length is 1.78 Å. In the third As site, As(3) is bonded to one O(17), one O(23), one O(27), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, and  a cornercorner with one As(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-60°. The As(3)-O(17) bond length is 1.81 Å. The As(3)-O(23) bond length is 1.47 Å. The As(3)-O(27) bond length is 2.00 Å. The As(3)-O(7) bond length is 1.78 Å. In the fourth As site, As(4) is bonded to one O(18), one O(24), one O(28), and one O(8) atom to form AsO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and  a cornercorner with one As(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-60°. The As(4)-O(18) bond length is 1.81 Å. The As(4)-O(24) bond length is 1.47 Å. The As(4)-O(28) bond length is 2.00 Å. The As(4)-O(8) bond length is 1.78 Å. In the fifth As site, As(5) is bonded to one O(1), one O(11), one O(13), and one O(17) atom to form distorted AsO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, and  a cornercorner with one As(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-52°. The As(5)-O(1) bond length is 1.80 Å. The As(5)-O(11) bond length is 1.71 Å. The As(5)-O(13) bond length is 2.06 Å. The As(5)-O(17) bond length is 1.55 Å. In the sixth As site, As(6) is bonded to one O(12), one O(14), one O(18), and one O(2) atom to form distorted AsO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and  a cornercorner with one As(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-53°. The As(6)-O(12) bond length is 1.69 Å. The As(6)-O(14) bond length is 2.06 Å. The As(6)-O(18) bond length is 1.55 Å. The As(6)-O(2) bond length is 1.80 Å. In the seventh As site, As(7) is bonded in a distorted rectangular see-saw-like geometry to one O(15), one O(19), one O(3), and one O(9) atom. The As(7)-O(15) bond length is 2.05 Å. The As(7)-O(19) bond length is 1.55 Å. The As(7)-O(3) bond length is 1.82 Å. The As(7)-O(9) bond length is 1.69 Å. In the eighth As site, As(8) is bonded to one O(10), one O(16), one O(20), and one O(4) atom to form distorted AsO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, and  a cornercorner with one As(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-52°. The As(8)-O(10) bond length is 1.71 Å. The As(8)-O(16) bond length is 2.05 Å. The As(8)-O(20) bond length is 1.55 Å. The As(8)-O(4) bond length is 1.80 Å. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Tl(3), one Al(2), and one As(5) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Tl(4), one Al(3), and one As(6) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Fe(1), one Tl(4), and one As(7) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Tl(3), one Al(1), and one As(8) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Al(2) and one As(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Al(3) and one As(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one As(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Al(1) and one As(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one As(7) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one As(8) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Al(2) and one As(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Al(3) and one As(6) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Al(1) and one As(5) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Fe(1) and one As(6) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Al(3) and one As(7) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Al(2) and one As(8) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one As(3) and one As(5) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Tl(2), one As(4), and one As(6) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one As(1) and one As(7) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Tl(2), one As(2), and one As(8) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one Fe(1) and one As(1) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one Al(1) and one As(2) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one Al(2) and one As(3) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Al(3) and one As(4) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 150 degrees geometry to one Fe(1), one Tl(4), and one As(1) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 150 degrees geometry to one Tl(3), one Al(1), and one As(2) atom. In the twenty-seventh O site, O(27) is bonded in a distorted bent 150 degrees geometry to one Tl(3), one Al(2), and one As(3) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 150 degrees geometry to one Tl(4), one Al(3), and one As(4) atom.