The material structure described by LuTlS2O9 crystallizes in the monoclinic P2_1/c space group. Lu(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. Tl(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(5) 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 distorted bent 150 degrees geometry to one Lu(1) and one Tl(1) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one Lu(1) and one S(1) atom. In the third O site, O(7) is bonded in a distorted water-like geometry to one Lu(1) and one S(1) atom. In the fourth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Lu(1) and one S(1) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to one Tl(1) and one S(2) atom. In the sixth O site, O(9) is bonded in a bent 150 degrees geometry to one Lu(1) and one S(2) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Lu(1) and one S(1) atom. In the eighth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Lu(1) and one S(2) atom. In the ninth O site, O(4) is bonded in a 3-coordinate geometry to one Lu(1), one Tl(1), and one S(2) atom. is represented by the CIF card [CIF]
data_LuTlS2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.169
_cell_length_b   10.259
_cell_length_c   10.109
_cell_angle_alpha   120.152
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   732.519
_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
  Lu  Lu0  1  0.349  0.959  0.712  1.0
  Lu  Lu1  1  0.651  0.041  0.288  1.0
  Lu  Lu2  1  0.849  0.541  0.788  1.0
  Lu  Lu3  1  0.151  0.459  0.212  1.0
  Tl  Tl4  1  0.362  0.688  0.948  1.0
  Tl  Tl5  1  0.638  0.312  0.052  1.0
  Tl  Tl6  1  0.862  0.812  0.552  1.0
  Tl  Tl7  1  0.138  0.188  0.448  1.0
  S  S8  1  0.123  0.317  0.871  1.0
  S  S9  1  0.877  0.683  0.129  1.0
  S  S10  1  0.623  0.183  0.629  1.0
  S  S11  1  0.377  0.817  0.371  1.0
  S  S12  1  0.201  0.596  0.599  1.0
  S  S13  1  0.799  0.404  0.401  1.0
  S  S14  1  0.701  0.904  0.901  1.0
  S  S15  1  0.299  0.096  0.099  1.0
  O  O16  1  0.787  0.050  0.970  1.0
  O  O17  1  0.213  0.950  0.030  1.0
  O  O18  1  0.287  0.450  0.530  1.0
  O  O19  1  0.713  0.550  0.470  1.0
  O  O20  1  0.197  0.169  0.762  1.0
  O  O21  1  0.803  0.831  0.238  1.0
  O  O22  1  0.697  0.331  0.738  1.0
  O  O23  1  0.303  0.669  0.262  1.0
  O  O24  1  0.319  0.724  0.673  1.0
  O  O25  1  0.681  0.276  0.327  1.0
  O  O26  1  0.819  0.776  0.827  1.0
  O  O27  1  0.181  0.224  0.173  1.0
  O  O28  1  0.387  0.108  0.974  1.0
  O  O29  1  0.613  0.892  0.026  1.0
  O  O30  1  0.887  0.392  0.526  1.0
  O  O31  1  0.113  0.608  0.474  1.0
  O  O32  1  0.077  0.938  0.728  1.0
  O  O33  1  0.923  0.062  0.272  1.0
  O  O34  1  0.577  0.562  0.772  1.0
  O  O35  1  0.423  0.438  0.228  1.0
  O  O36  1  0.253  0.426  0.971  1.0
  O  O37  1  0.747  0.574  0.029  1.0
  O  O38  1  0.753  0.074  0.529  1.0
  O  O39  1  0.247  0.926  0.471  1.0
  O  O40  1  0.007  0.309  0.979  1.0
  O  O41  1  0.993  0.691  0.021  1.0
  O  O42  1  0.507  0.191  0.521  1.0
  O  O43  1  0.493  0.809  0.479  1.0
  O  O44  1  0.042  0.372  0.776  1.0
  O  O45  1  0.958  0.628  0.224  1.0
  O  O46  1  0.542  0.128  0.724  1.0
  O  O47  1  0.458  0.872  0.276  1.0
  O  O48  1  0.587  0.886  0.779  1.0
  O  O49  1  0.413  0.114  0.221  1.0
  O  O50  1  0.087  0.614  0.721  1.0
  O  O51  1  0.913  0.386  0.279  1.0
[/CIF]
.
The material structure described by LuTlS2O9 crystallizes in the monoclinic P2_1/c space group. Lu(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. Tl(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(5) 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 distorted bent 150 degrees geometry to one Lu(1) and one Tl(1) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one Lu(1) and one S(1) atom. In the third O site, O(7) is bonded in a distorted water-like geometry to one Lu(1) and one S(1) atom. In the fourth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Lu(1) and one S(1) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to one Tl(1) and one S(2) atom. In the sixth O site, O(9) is bonded in a bent 150 degrees geometry to one Lu(1) and one S(2) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Lu(1) and one S(1) atom. In the eighth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Lu(1) and one S(2) atom. In the ninth O site, O(4) is bonded in a 3-coordinate geometry to one Lu(1), one Tl(1), and one S(2) atom. is represented by the CIF card [CIF]
data_LuTlS2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.169
_cell_length_b   10.259
_cell_length_c   10.109
_cell_angle_alpha   120.152
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   732.519
_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
  Lu  Lu0  1  0.349  0.959  0.712  1.0
  Lu  Lu1  1  0.651  0.041  0.288  1.0
  Lu  Lu2  1  0.849  0.541  0.788  1.0
  Lu  Lu3  1  0.151  0.459  0.212  1.0
  Tl  Tl4  1  0.362  0.688  0.948  1.0
  Tl  Tl5  1  0.638  0.312  0.052  1.0
  Tl  Tl6  1  0.862  0.812  0.552  1.0
  Tl  Tl7  1  0.138  0.188  0.448  1.0
  S  S8  1  0.123  0.317  0.871  1.0
  S  S9  1  0.877  0.683  0.129  1.0
  S  S10  1  0.623  0.183  0.629  1.0
  S  S11  1  0.377  0.817  0.371  1.0
  S  S12  1  0.201  0.596  0.599  1.0
  S  S13  1  0.799  0.404  0.401  1.0
  S  S14  1  0.701  0.904  0.901  1.0
  S  S15  1  0.299  0.096  0.099  1.0
  O  O16  1  0.787  0.050  0.970  1.0
  O  O17  1  0.213  0.950  0.030  1.0
  O  O18  1  0.287  0.450  0.530  1.0
  O  O19  1  0.713  0.550  0.470  1.0
  O  O20  1  0.197  0.169  0.762  1.0
  O  O21  1  0.803  0.831  0.238  1.0
  O  O22  1  0.697  0.331  0.738  1.0
  O  O23  1  0.303  0.669  0.262  1.0
  O  O24  1  0.319  0.724  0.673  1.0
  O  O25  1  0.681  0.276  0.327  1.0
  O  O26  1  0.819  0.776  0.827  1.0
  O  O27  1  0.181  0.224  0.173  1.0
  O  O28  1  0.387  0.108  0.974  1.0
  O  O29  1  0.613  0.892  0.026  1.0
  O  O30  1  0.887  0.392  0.526  1.0
  O  O31  1  0.113  0.608  0.474  1.0
  O  O32  1  0.077  0.938  0.728  1.0
  O  O33  1  0.923  0.062  0.272  1.0
  O  O34  1  0.577  0.562  0.772  1.0
  O  O35  1  0.423  0.438  0.228  1.0
  O  O36  1  0.253  0.426  0.971  1.0
  O  O37  1  0.747  0.574  0.029  1.0
  O  O38  1  0.753  0.074  0.529  1.0
  O  O39  1  0.247  0.926  0.471  1.0
  O  O40  1  0.007  0.309  0.979  1.0
  O  O41  1  0.993  0.691  0.021  1.0
  O  O42  1  0.507  0.191  0.521  1.0
  O  O43  1  0.493  0.809  0.479  1.0
  O  O44  1  0.042  0.372  0.776  1.0
  O  O45  1  0.958  0.628  0.224  1.0
  O  O46  1  0.542  0.128  0.724  1.0
  O  O47  1  0.458  0.872  0.276  1.0
  O  O48  1  0.587  0.886  0.779  1.0
  O  O49  1  0.413  0.114  0.221  1.0
  O  O50  1  0.087  0.614  0.721  1.0
  O  O51  1  0.913  0.386  0.279  1.0
[/CIF]
.