The material structure described by SrCu2(TeO3)2Cl2 crystallizes in the monoclinic P2_1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(4), and two equivalent Cl(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(6), one Cl(1), and one Cl(2) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to one O(4), one O(5), and one O(6) atom. In the second Te site, Te(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sr(1), one Cu(2), and one Te(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Cu(2), and one Te(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Te(2) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), one Cu(2), and one Te(1) atom to form distorted corner-sharing OSr2CuTe tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sr(1), one Cu(1), and one Te(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(1), one Te(1), and one Te(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a T-shaped geometry to two equivalent Sr(1) and one Cu(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Cu(1) atom. is represented by the CIF file [CIF]
data_SrCu2Te2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.374
_cell_length_b   7.303
_cell_length_c   8.384
_cell_angle_alpha   83.268
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   448.388
_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
  Sr  Sr0  1  0.954  0.374  0.560  1.0
  Sr  Sr1  1  0.454  0.626  0.440  1.0
  Cu  Cu2  1  0.944  0.181  0.085  1.0
  Cu  Cu3  1  0.462  0.139  0.587  1.0
  Cu  Cu4  1  0.444  0.819  0.915  1.0
  Cu  Cu5  1  0.962  0.861  0.413  1.0
  Te  Te6  1  0.596  0.369  0.885  1.0
  Te  Te7  1  0.321  0.149  0.267  1.0
  Te  Te8  1  0.096  0.631  0.115  1.0
  Te  Te9  1  0.821  0.851  0.733  1.0
  Cl  Cl10  1  0.204  0.601  0.732  1.0
  Cl  Cl11  1  0.728  0.953  0.116  1.0
  Cl  Cl12  1  0.228  0.047  0.884  1.0
  Cl  Cl13  1  0.704  0.399  0.268  1.0
  O  O14  1  0.402  0.962  0.435  1.0
  O  O15  1  0.294  0.298  0.442  1.0
  O  O16  1  0.083  0.038  0.257  1.0
  O  O17  1  0.902  0.038  0.565  1.0
  O  O18  1  0.579  0.359  0.658  1.0
  O  O19  1  0.847  0.308  0.885  1.0
  O  O20  1  0.631  0.629  0.876  1.0
  O  O21  1  0.583  0.962  0.743  1.0
  O  O22  1  0.347  0.692  0.115  1.0
  O  O23  1  0.079  0.641  0.342  1.0
  O  O24  1  0.131  0.371  0.124  1.0
  O  O25  1  0.794  0.702  0.558  1.0
[/CIF]
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The material structure described by SrCu2(TeO3)2Cl2 crystallizes in the monoclinic P2_1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(4), and two equivalent Cl(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(6), one Cl(1), and one Cl(2) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to one O(4), one O(5), and one O(6) atom. In the second Te site, Te(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sr(1), one Cu(2), and one Te(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Cu(2), and one Te(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Te(2) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), one Cu(2), and one Te(1) atom to form distorted corner-sharing OSr2CuTe tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sr(1), one Cu(1), and one Te(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(1), one Te(1), and one Te(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a T-shaped geometry to two equivalent Sr(1) and one Cu(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Cu(1) atom. is represented by the CIF file [CIF]
data_SrCu2Te2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.374
_cell_length_b   7.303
_cell_length_c   8.384
_cell_angle_alpha   83.268
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   448.388
_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
  Sr  Sr0  1  0.954  0.374  0.560  1.0
  Sr  Sr1  1  0.454  0.626  0.440  1.0
  Cu  Cu2  1  0.944  0.181  0.085  1.0
  Cu  Cu3  1  0.462  0.139  0.587  1.0
  Cu  Cu4  1  0.444  0.819  0.915  1.0
  Cu  Cu5  1  0.962  0.861  0.413  1.0
  Te  Te6  1  0.596  0.369  0.885  1.0
  Te  Te7  1  0.321  0.149  0.267  1.0
  Te  Te8  1  0.096  0.631  0.115  1.0
  Te  Te9  1  0.821  0.851  0.733  1.0
  Cl  Cl10  1  0.204  0.601  0.732  1.0
  Cl  Cl11  1  0.728  0.953  0.116  1.0
  Cl  Cl12  1  0.228  0.047  0.884  1.0
  Cl  Cl13  1  0.704  0.399  0.268  1.0
  O  O14  1  0.402  0.962  0.435  1.0
  O  O15  1  0.294  0.298  0.442  1.0
  O  O16  1  0.083  0.038  0.257  1.0
  O  O17  1  0.902  0.038  0.565  1.0
  O  O18  1  0.579  0.359  0.658  1.0
  O  O19  1  0.847  0.308  0.885  1.0
  O  O20  1  0.631  0.629  0.876  1.0
  O  O21  1  0.583  0.962  0.743  1.0
  O  O22  1  0.347  0.692  0.115  1.0
  O  O23  1  0.079  0.641  0.342  1.0
  O  O24  1  0.131  0.371  0.124  1.0
  O  O25  1  0.794  0.702  0.558  1.0
[/CIF]
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