The crystal structure described by TlYS2O9 crystallizes in the monoclinic P2_1/c space group. The structure consists of four 7440-28-0 atoms inside a YS2O9 framework. In the YS2O9 framework, Y(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(2), one O(6), one O(7), and one O(8) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one Y(1) atom. In the second O site, O(6) is bonded in a distorted water-like geometry to one Y(1) and one S(1) atom. In the third O site, O(7) is bonded in a distorted water-like geometry to one Y(1) and one S(1) atom. In the fourth O site, O(8) is bonded in a bent 150 degrees geometry to one Y(1) and one S(1) atom. In the fifth O site, O(1) is bonded in a single-bond geometry to one S(2) atom. In the sixth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one S(2) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Y(1) and one S(1) atom. In the eighth O site, O(3) is bonded in a bent 150 degrees geometry to one Y(1) and one S(2) atom. In the ninth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Y(1) and one S(2) atom. is represented by the CIF card [CIF]
data_YTlS2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.499
_cell_length_b   10.808
_cell_length_c   10.225
_cell_angle_alpha   120.890
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   806.001
_cell_formula_units_Z   4
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
  Y  Y0  1  0.371  0.972  0.718  1.0
  Y  Y1  1  0.629  0.028  0.282  1.0
  Y  Y2  1  0.871  0.528  0.782  1.0
  Y  Y3  1  0.129  0.472  0.218  1.0
  Tl  Tl4  1  0.344  0.679  0.952  1.0
  Tl  Tl5  1  0.656  0.321  0.048  1.0
  Tl  Tl6  1  0.844  0.821  0.548  1.0
  Tl  Tl7  1  0.156  0.179  0.452  1.0
  S  S8  1  0.126  0.312  0.874  1.0
  S  S9  1  0.874  0.688  0.126  1.0
  S  S10  1  0.626  0.188  0.626  1.0
  S  S11  1  0.374  0.812  0.374  1.0
  S  S12  1  0.198  0.610  0.596  1.0
  S  S13  1  0.802  0.390  0.404  1.0
  S  S14  1  0.698  0.890  0.904  1.0
  S  S15  1  0.302  0.110  0.096  1.0
  O  O16  1  0.796  0.022  0.986  1.0
  O  O17  1  0.204  0.978  0.014  1.0
  O  O18  1  0.296  0.478  0.514  1.0
  O  O19  1  0.704  0.522  0.486  1.0
  O  O20  1  0.197  0.169  0.768  1.0
  O  O21  1  0.803  0.831  0.232  1.0
  O  O22  1  0.697  0.331  0.732  1.0
  O  O23  1  0.303  0.669  0.268  1.0
  O  O24  1  0.301  0.742  0.676  1.0
  O  O25  1  0.699  0.258  0.324  1.0
  O  O26  1  0.801  0.758  0.824  1.0
  O  O27  1  0.199  0.242  0.176  1.0
  O  O28  1  0.404  0.123  0.984  1.0
  O  O29  1  0.596  0.877  0.016  1.0
  O  O30  1  0.904  0.377  0.516  1.0
  O  O31  1  0.096  0.623  0.484  1.0
  O  O32  1  0.118  0.932  0.777  1.0
  O  O33  1  0.882  0.068  0.223  1.0
  O  O34  1  0.618  0.568  0.723  1.0
  O  O35  1  0.382  0.432  0.277  1.0
  O  O36  1  0.248  0.415  0.980  1.0
  O  O37  1  0.752  0.585  0.020  1.0
  O  O38  1  0.748  0.085  0.520  1.0
  O  O39  1  0.252  0.915  0.480  1.0
  O  O40  1  0.005  0.306  0.976  1.0
  O  O41  1  0.995  0.694  0.024  1.0
  O  O42  1  0.505  0.194  0.524  1.0
  O  O43  1  0.495  0.806  0.476  1.0
  O  O44  1  0.055  0.367  0.780  1.0
  O  O45  1  0.945  0.633  0.220  1.0
  O  O46  1  0.555  0.133  0.720  1.0
  O  O47  1  0.445  0.867  0.280  1.0
  O  O48  1  0.603  0.896  0.786  1.0
  O  O49  1  0.397  0.104  0.214  1.0
  O  O50  1  0.103  0.604  0.714  1.0
  O  O51  1  0.897  0.396  0.286  1.0
[/CIF]
.
The crystal structure described by TlYS2O9 crystallizes in the monoclinic P2_1/c space group. The structure consists of four 7440-28-0 atoms inside a YS2O9 framework. In the YS2O9 framework, Y(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(2), one O(6), one O(7), and one O(8) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one Y(1) atom. In the second O site, O(6) is bonded in a distorted water-like geometry to one Y(1) and one S(1) atom. In the third O site, O(7) is bonded in a distorted water-like geometry to one Y(1) and one S(1) atom. In the fourth O site, O(8) is bonded in a bent 150 degrees geometry to one Y(1) and one S(1) atom. In the fifth O site, O(1) is bonded in a single-bond geometry to one S(2) atom. In the sixth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one S(2) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Y(1) and one S(1) atom. In the eighth O site, O(3) is bonded in a bent 150 degrees geometry to one Y(1) and one S(2) atom. In the ninth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Y(1) and one S(2) atom. is represented by the CIF card [CIF]
data_YTlS2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.499
_cell_length_b   10.808
_cell_length_c   10.225
_cell_angle_alpha   120.890
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   806.001
_cell_formula_units_Z   4
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
  Y  Y0  1  0.371  0.972  0.718  1.0
  Y  Y1  1  0.629  0.028  0.282  1.0
  Y  Y2  1  0.871  0.528  0.782  1.0
  Y  Y3  1  0.129  0.472  0.218  1.0
  Tl  Tl4  1  0.344  0.679  0.952  1.0
  Tl  Tl5  1  0.656  0.321  0.048  1.0
  Tl  Tl6  1  0.844  0.821  0.548  1.0
  Tl  Tl7  1  0.156  0.179  0.452  1.0
  S  S8  1  0.126  0.312  0.874  1.0
  S  S9  1  0.874  0.688  0.126  1.0
  S  S10  1  0.626  0.188  0.626  1.0
  S  S11  1  0.374  0.812  0.374  1.0
  S  S12  1  0.198  0.610  0.596  1.0
  S  S13  1  0.802  0.390  0.404  1.0
  S  S14  1  0.698  0.890  0.904  1.0
  S  S15  1  0.302  0.110  0.096  1.0
  O  O16  1  0.796  0.022  0.986  1.0
  O  O17  1  0.204  0.978  0.014  1.0
  O  O18  1  0.296  0.478  0.514  1.0
  O  O19  1  0.704  0.522  0.486  1.0
  O  O20  1  0.197  0.169  0.768  1.0
  O  O21  1  0.803  0.831  0.232  1.0
  O  O22  1  0.697  0.331  0.732  1.0
  O  O23  1  0.303  0.669  0.268  1.0
  O  O24  1  0.301  0.742  0.676  1.0
  O  O25  1  0.699  0.258  0.324  1.0
  O  O26  1  0.801  0.758  0.824  1.0
  O  O27  1  0.199  0.242  0.176  1.0
  O  O28  1  0.404  0.123  0.984  1.0
  O  O29  1  0.596  0.877  0.016  1.0
  O  O30  1  0.904  0.377  0.516  1.0
  O  O31  1  0.096  0.623  0.484  1.0
  O  O32  1  0.118  0.932  0.777  1.0
  O  O33  1  0.882  0.068  0.223  1.0
  O  O34  1  0.618  0.568  0.723  1.0
  O  O35  1  0.382  0.432  0.277  1.0
  O  O36  1  0.248  0.415  0.980  1.0
  O  O37  1  0.752  0.585  0.020  1.0
  O  O38  1  0.748  0.085  0.520  1.0
  O  O39  1  0.252  0.915  0.480  1.0
  O  O40  1  0.005  0.306  0.976  1.0
  O  O41  1  0.995  0.694  0.024  1.0
  O  O42  1  0.505  0.194  0.524  1.0
  O  O43  1  0.495  0.806  0.476  1.0
  O  O44  1  0.055  0.367  0.780  1.0
  O  O45  1  0.945  0.633  0.220  1.0
  O  O46  1  0.555  0.133  0.720  1.0
  O  O47  1  0.445  0.867  0.280  1.0
  O  O48  1  0.603  0.896  0.786  1.0
  O  O49  1  0.397  0.104  0.214  1.0
  O  O50  1  0.103  0.604  0.714  1.0
  O  O51  1  0.897  0.396  0.286  1.0
[/CIF]
.