The compound described by Al7(TlS4)3 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one S(12), one S(6), and one S(9) atom. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one S(8) atom. In the third Tl site, Tl(3) is bonded in a 4-coordinate geometry to one S(1), one S(3), one S(7), and one S(8) atom. There are seven inequivalent Al sites. In the first Al site, Al(1) is bonded to one S(1), one S(11), one S(2), and one S(9) atom to form corner-sharing AlS4 tetrahedra. In the second Al site, Al(2) is bonded to one S(11), one S(4), one S(6), and one S(8) atom to form corner-sharing AlS4 tetrahedra. In the third Al site, Al(3) is bonded to one S(10), one S(5), one S(8), and one S(9) atom to form corner-sharing AlS4 tetrahedra. In the fourth Al site, Al(4) is bonded to one S(3), one S(5), one S(6), and one S(7) atom to form corner-sharing AlS4 tetrahedra. In the fifth Al site, Al(5) is bonded to one S(10), one S(2), one S(3), and one S(4) atom to form corner-sharing AlS4 tetrahedra. In the sixth Al site, Al(6) is bonded to one S(1), one S(10), one S(11), and one S(12) atom to form corner-sharing AlS4 tetrahedra. In the seventh Al site, Al(7) is bonded to one S(12), one S(4), one S(5), and one S(7) atom to form corner-sharing AlS4 tetrahedra. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a distorted tetrahedral geometry to one Tl(2), one Tl(3), one Al(1), and one Al(6) atom. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one Tl(2), one Al(1), and one Al(5) atom. In the third S site, S(3) is bonded in a distorted water-like geometry to one Tl(3), one Al(4), and one Al(5) atom. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Al(2), one Al(5), and one Al(7) atom. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Al(3), one Al(4), and one Al(7) atom. In the sixth S site, S(6) is bonded in a distorted water-like geometry to one Tl(1), one Al(2), and one Al(4) atom. In the seventh S site, S(7) is bonded in a distorted trigonal non-coplanar geometry to one Tl(3), one Al(4), and one Al(7) atom. In the eighth S site, S(8) is bonded in a distorted bent 120 degrees geometry to one Tl(2), one Tl(3), one Al(2), and one Al(3) atom. In the ninth S site, S(9) is bonded in a water-like geometry to one Tl(1), one Al(1), and one Al(3) atom. In the tenth S site, S(10) is bonded in a trigonal non-coplanar geometry to one Al(3), one Al(5), and one Al(6) atom. In the eleventh S site, S(11) is bonded in a trigonal non-coplanar geometry to one Al(1), one Al(2), and one Al(6) atom. In the twelfth S site, S(12) is bonded in a distorted water-like geometry to one Tl(1), one Al(6), and one Al(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al7(TlS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.458
_cell_length_b   9.123
_cell_length_c   9.636
_cell_angle_alpha   83.969
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1089.194
_cell_formula_units_Z   2
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  0.285  0.032  0.029  1.0
  Al  Al1  1  0.785  0.968  0.971  1.0
  Al  Al2  1  0.766  0.289  0.193  1.0
  Al  Al3  1  0.266  0.711  0.807  1.0
  Al  Al4  1  0.372  0.695  0.179  1.0
  Al  Al5  1  0.872  0.305  0.821  1.0
  Al  Al6  1  0.767  0.480  0.480  1.0
  Al  Al7  1  0.267  0.520  0.520  1.0
  Al  Al8  1  0.672  0.667  0.175  1.0
  Al  Al9  1  0.172  0.333  0.825  1.0
  Al  Al10  1  0.539  0.019  0.201  1.0
  Al  Al11  1  0.039  0.981  0.799  1.0
  Al  Al12  1  0.514  0.370  0.360  1.0
  Al  Al13  1  0.014  0.630  0.640  1.0
  Tl  Tl14  1  0.251  0.038  0.478  1.0
  Tl  Tl15  1  0.751  0.962  0.522  1.0
  Tl  Tl16  1  0.028  0.120  0.232  1.0
  Tl  Tl17  1  0.528  0.880  0.768  1.0
  Tl  Tl18  1  0.025  0.620  0.165  1.0
  Tl  Tl19  1  0.525  0.380  0.835  1.0
  S  S20  1  0.961  0.928  0.006  1.0
  S  S21  1  0.204  0.247  0.046  1.0
  S  S22  1  0.309  0.327  0.677  1.0
  S  S23  1  0.809  0.673  0.323  1.0
  S  S24  1  0.704  0.753  0.954  1.0
  S  S25  1  0.613  0.428  0.158  1.0
  S  S26  1  0.846  0.527  0.688  1.0
  S  S27  1  0.346  0.473  0.312  1.0
  S  S28  1  0.331  0.728  0.591  1.0
  S  S29  1  0.831  0.272  0.409  1.0
  S  S30  1  0.592  0.472  0.532  1.0
  S  S31  1  0.092  0.528  0.468  1.0
  S  S32  1  0.396  0.645  0.958  1.0
  S  S33  1  0.896  0.355  0.042  1.0
  S  S34  1  0.745  0.139  0.794  1.0
  S  S35  1  0.245  0.861  0.206  1.0
  S  S36  1  0.528  0.774  0.273  1.0
  S  S37  1  0.028  0.226  0.727  1.0
  S  S38  1  0.721  0.049  0.174  1.0
  S  S39  1  0.221  0.951  0.826  1.0
  S  S40  1  0.494  0.125  0.391  1.0
  S  S41  1  0.994  0.875  0.609  1.0
  S  S42  1  0.113  0.572  0.842  1.0
  S  S43  1  0.461  0.072  0.994  1.0
[/CIF]
.
The compound described by Al7(TlS4)3 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one S(12), one S(6), and one S(9) atom. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one S(8) atom. In the third Tl site, Tl(3) is bonded in a 4-coordinate geometry to one S(1), one S(3), one S(7), and one S(8) atom. There are seven inequivalent Al sites. In the first Al site, Al(1) is bonded to one S(1), one S(11), one S(2), and one S(9) atom to form corner-sharing AlS4 tetrahedra. In the second Al site, Al(2) is bonded to one S(11), one S(4), one S(6), and one S(8) atom to form corner-sharing AlS4 tetrahedra. In the third Al site, Al(3) is bonded to one S(10), one S(5), one S(8), and one S(9) atom to form corner-sharing AlS4 tetrahedra. In the fourth Al site, Al(4) is bonded to one S(3), one S(5), one S(6), and one S(7) atom to form corner-sharing AlS4 tetrahedra. In the fifth Al site, Al(5) is bonded to one S(10), one S(2), one S(3), and one S(4) atom to form corner-sharing AlS4 tetrahedra. In the sixth Al site, Al(6) is bonded to one S(1), one S(10), one S(11), and one S(12) atom to form corner-sharing AlS4 tetrahedra. In the seventh Al site, Al(7) is bonded to one S(12), one S(4), one S(5), and one S(7) atom to form corner-sharing AlS4 tetrahedra. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a distorted tetrahedral geometry to one Tl(2), one Tl(3), one Al(1), and one Al(6) atom. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one Tl(2), one Al(1), and one Al(5) atom. In the third S site, S(3) is bonded in a distorted water-like geometry to one Tl(3), one Al(4), and one Al(5) atom. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Al(2), one Al(5), and one Al(7) atom. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Al(3), one Al(4), and one Al(7) atom. In the sixth S site, S(6) is bonded in a distorted water-like geometry to one Tl(1), one Al(2), and one Al(4) atom. In the seventh S site, S(7) is bonded in a distorted trigonal non-coplanar geometry to one Tl(3), one Al(4), and one Al(7) atom. In the eighth S site, S(8) is bonded in a distorted bent 120 degrees geometry to one Tl(2), one Tl(3), one Al(2), and one Al(3) atom. In the ninth S site, S(9) is bonded in a water-like geometry to one Tl(1), one Al(1), and one Al(3) atom. In the tenth S site, S(10) is bonded in a trigonal non-coplanar geometry to one Al(3), one Al(5), and one Al(6) atom. In the eleventh S site, S(11) is bonded in a trigonal non-coplanar geometry to one Al(1), one Al(2), and one Al(6) atom. In the twelfth S site, S(12) is bonded in a distorted water-like geometry to one Tl(1), one Al(6), and one Al(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al7(TlS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.458
_cell_length_b   9.123
_cell_length_c   9.636
_cell_angle_alpha   83.969
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1089.194
_cell_formula_units_Z   2
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  0.285  0.032  0.029  1.0
  Al  Al1  1  0.785  0.968  0.971  1.0
  Al  Al2  1  0.766  0.289  0.193  1.0
  Al  Al3  1  0.266  0.711  0.807  1.0
  Al  Al4  1  0.372  0.695  0.179  1.0
  Al  Al5  1  0.872  0.305  0.821  1.0
  Al  Al6  1  0.767  0.480  0.480  1.0
  Al  Al7  1  0.267  0.520  0.520  1.0
  Al  Al8  1  0.672  0.667  0.175  1.0
  Al  Al9  1  0.172  0.333  0.825  1.0
  Al  Al10  1  0.539  0.019  0.201  1.0
  Al  Al11  1  0.039  0.981  0.799  1.0
  Al  Al12  1  0.514  0.370  0.360  1.0
  Al  Al13  1  0.014  0.630  0.640  1.0
  Tl  Tl14  1  0.251  0.038  0.478  1.0
  Tl  Tl15  1  0.751  0.962  0.522  1.0
  Tl  Tl16  1  0.028  0.120  0.232  1.0
  Tl  Tl17  1  0.528  0.880  0.768  1.0
  Tl  Tl18  1  0.025  0.620  0.165  1.0
  Tl  Tl19  1  0.525  0.380  0.835  1.0
  S  S20  1  0.961  0.928  0.006  1.0
  S  S21  1  0.204  0.247  0.046  1.0
  S  S22  1  0.309  0.327  0.677  1.0
  S  S23  1  0.809  0.673  0.323  1.0
  S  S24  1  0.704  0.753  0.954  1.0
  S  S25  1  0.613  0.428  0.158  1.0
  S  S26  1  0.846  0.527  0.688  1.0
  S  S27  1  0.346  0.473  0.312  1.0
  S  S28  1  0.331  0.728  0.591  1.0
  S  S29  1  0.831  0.272  0.409  1.0
  S  S30  1  0.592  0.472  0.532  1.0
  S  S31  1  0.092  0.528  0.468  1.0
  S  S32  1  0.396  0.645  0.958  1.0
  S  S33  1  0.896  0.355  0.042  1.0
  S  S34  1  0.745  0.139  0.794  1.0
  S  S35  1  0.245  0.861  0.206  1.0
  S  S36  1  0.528  0.774  0.273  1.0
  S  S37  1  0.028  0.226  0.727  1.0
  S  S38  1  0.721  0.049  0.174  1.0
  S  S39  1  0.221  0.951  0.826  1.0
  S  S40  1  0.494  0.125  0.391  1.0
  S  S41  1  0.994  0.875  0.609  1.0
  S  S42  1  0.113  0.572  0.842  1.0
  S  S43  1  0.461  0.072  0.994  1.0
[/CIF]
.