The material described by (Tl)4FeAl3(As2O7)4 crystallizes in the triclinic P1 space group. The structure consists of four 7440-28-0 atoms inside a FeAl3(As2O7)4 framework. In the FeAl3(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, corners with two equivalent As(1)O4 tetrahedra, and corners with two equivalent As(7)O4 tetrahedra. 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,  a cornercorner with one As(7)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 AsO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and  a cornercorner with one As(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-54°. 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 32-51°. 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 32-51°. 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 33-51°. 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 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 40-49°. 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 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 43-49°. In the seventh As site, As(7) is bonded to one O(15), one O(19), one O(3), and one O(9) atom to form AsO4 tetrahedra that share  a cornercorner with one Al(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and  a cornercorner with one As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-52°. 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 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 41-49°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Al(2) and one As(5) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to 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) and one As(7) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to 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 bent 120 degrees geometry to one Fe(1) and one As(7) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Al(1) and one As(8) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Al(2) and one As(5) atom. In the twelfth O site, O(12) is bonded in a bent 120 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 distorted 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 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 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 bent 150 degrees geometry to one Fe(1) and one As(1) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Al(1) and one As(2) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Al(2) and one As(3) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Al(3) and one As(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al3Tl4Fe(As2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.408
_cell_length_b   6.485
_cell_length_c   16.410
_cell_angle_alpha   79.312
_cell_angle_beta   86.792
_cell_angle_gamma   102.992
_symmetry_Int_Tables_number   1
_cell_volume   649.555
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al0  1  0.739  0.430  0.885  1.0
  Al  Al1  1  0.261  0.571  0.113  1.0
  Al  Al2  1  0.761  0.070  0.615  1.0
  Tl  Tl3  1  0.751  0.751  0.250  1.0
  Tl  Tl4  1  0.250  0.251  0.750  1.0
  Tl  Tl5  1  0.999  1.000  1.000  1.0
  Tl  Tl6  1  0.500  0.501  0.500  1.0
  Fe  Fe7  1  0.239  0.928  0.386  1.0
  As  As8  1  0.179  0.426  0.330  1.0
  As  As9  1  0.679  0.927  0.832  1.0
  As  As10  1  0.321  0.075  0.165  1.0
  As  As11  1  0.821  0.573  0.669  1.0
  As  As12  1  0.729  0.436  0.093  1.0
  As  As13  1  0.229  0.934  0.597  1.0
  As  As14  1  0.772  0.067  0.408  1.0
  As  As15  1  0.272  0.565  0.907  1.0
  O  O16  1  0.955  0.539  0.136  1.0
  O  O17  1  0.455  0.042  0.639  1.0
  O  O18  1  0.555  0.963  0.360  1.0
  O  O19  1  0.046  0.461  0.864  1.0
  O  O20  1  0.300  0.518  0.231  1.0
  O  O21  1  0.800  0.017  0.733  1.0
  O  O22  1  0.191  0.984  0.263  1.0
  O  O23  1  0.699  0.483  0.767  1.0
  O  O24  1  0.919  0.878  0.411  1.0
  O  O25  1  0.430  0.385  0.907  1.0
  O  O26  1  0.570  0.615  0.093  1.0
  O  O27  1  0.070  0.115  0.593  1.0
  O  O28  1  0.771  0.352  0.003  1.0
  O  O29  1  0.277  0.843  0.509  1.0
  O  O30  1  0.728  0.152  0.497  1.0
  O  O31  1  0.229  0.649  0.996  1.0
  O  O32  1  0.602  0.194  0.170  1.0
  O  O33  1  0.101  0.693  0.673  1.0
  O  O34  1  0.898  0.305  0.328  1.0
  O  O35  1  0.397  0.806  0.829  1.0
  O  O36  1  0.294  0.242  0.388  1.0
  O  O37  1  0.787  0.734  0.888  1.0
  O  O38  1  0.215  0.269  0.109  1.0
  O  O39  1  0.714  0.767  0.612  1.0
  O  O40  1  0.188  0.615  0.388  1.0
  O  O41  1  0.695  0.125  0.887  1.0
  O  O42  1  0.308  0.876  0.111  1.0
  O  O43  1  0.806  0.376  0.613  1.0
[/CIF]
.
The material described by (Tl)4FeAl3(As2O7)4 crystallizes in the triclinic P1 space group. The structure consists of four 7440-28-0 atoms inside a FeAl3(As2O7)4 framework. In the FeAl3(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, corners with two equivalent As(1)O4 tetrahedra, and corners with two equivalent As(7)O4 tetrahedra. 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,  a cornercorner with one As(7)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 AsO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and  a cornercorner with one As(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-54°. 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 32-51°. 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 32-51°. 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 33-51°. 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 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 40-49°. 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 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 43-49°. In the seventh As site, As(7) is bonded to one O(15), one O(19), one O(3), and one O(9) atom to form AsO4 tetrahedra that share  a cornercorner with one Al(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and  a cornercorner with one As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-52°. 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 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 41-49°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Al(2) and one As(5) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to 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) and one As(7) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to 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 bent 120 degrees geometry to one Fe(1) and one As(7) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Al(1) and one As(8) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Al(2) and one As(5) atom. In the twelfth O site, O(12) is bonded in a bent 120 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 distorted 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 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 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 bent 150 degrees geometry to one Fe(1) and one As(1) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Al(1) and one As(2) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Al(2) and one As(3) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Al(3) and one As(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al3Tl4Fe(As2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.408
_cell_length_b   6.485
_cell_length_c   16.410
_cell_angle_alpha   79.312
_cell_angle_beta   86.792
_cell_angle_gamma   102.992
_symmetry_Int_Tables_number   1
_cell_volume   649.555
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al0  1  0.739  0.430  0.885  1.0
  Al  Al1  1  0.261  0.571  0.113  1.0
  Al  Al2  1  0.761  0.070  0.615  1.0
  Tl  Tl3  1  0.751  0.751  0.250  1.0
  Tl  Tl4  1  0.250  0.251  0.750  1.0
  Tl  Tl5  1  0.999  1.000  1.000  1.0
  Tl  Tl6  1  0.500  0.501  0.500  1.0
  Fe  Fe7  1  0.239  0.928  0.386  1.0
  As  As8  1  0.179  0.426  0.330  1.0
  As  As9  1  0.679  0.927  0.832  1.0
  As  As10  1  0.321  0.075  0.165  1.0
  As  As11  1  0.821  0.573  0.669  1.0
  As  As12  1  0.729  0.436  0.093  1.0
  As  As13  1  0.229  0.934  0.597  1.0
  As  As14  1  0.772  0.067  0.408  1.0
  As  As15  1  0.272  0.565  0.907  1.0
  O  O16  1  0.955  0.539  0.136  1.0
  O  O17  1  0.455  0.042  0.639  1.0
  O  O18  1  0.555  0.963  0.360  1.0
  O  O19  1  0.046  0.461  0.864  1.0
  O  O20  1  0.300  0.518  0.231  1.0
  O  O21  1  0.800  0.017  0.733  1.0
  O  O22  1  0.191  0.984  0.263  1.0
  O  O23  1  0.699  0.483  0.767  1.0
  O  O24  1  0.919  0.878  0.411  1.0
  O  O25  1  0.430  0.385  0.907  1.0
  O  O26  1  0.570  0.615  0.093  1.0
  O  O27  1  0.070  0.115  0.593  1.0
  O  O28  1  0.771  0.352  0.003  1.0
  O  O29  1  0.277  0.843  0.509  1.0
  O  O30  1  0.728  0.152  0.497  1.0
  O  O31  1  0.229  0.649  0.996  1.0
  O  O32  1  0.602  0.194  0.170  1.0
  O  O33  1  0.101  0.693  0.673  1.0
  O  O34  1  0.898  0.305  0.328  1.0
  O  O35  1  0.397  0.806  0.829  1.0
  O  O36  1  0.294  0.242  0.388  1.0
  O  O37  1  0.787  0.734  0.888  1.0
  O  O38  1  0.215  0.269  0.109  1.0
  O  O39  1  0.714  0.767  0.612  1.0
  O  O40  1  0.188  0.615  0.388  1.0
  O  O41  1  0.695  0.125  0.887  1.0
  O  O42  1  0.308  0.876  0.111  1.0
  O  O43  1  0.806  0.376  0.613  1.0
[/CIF]
.