The material structure described by Sr2Cu2Te(O3Br)2 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), two equivalent O(2), and three equivalent Br(1) atoms. Cu(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), and one Br(1) atom. Te(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Sr(1), two equivalent Cu(1), and one Te(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), one Cu(1), and one Te(1) atom to form distorted OSr2CuTe trigonal pyramids that share corners with two equivalent O(3)SrCu2Te trigonal pyramids, corners with three equivalent O(2)Sr2CuTe trigonal pyramids, and edges with two equivalent O(3)SrCu2Te trigonal pyramids. In the third O site, O(3) is bonded to one Sr(1), two equivalent Cu(1), and one Te(1) atom to form distorted OSrCu2Te trigonal pyramids that share corners with two equivalent O(2)Sr2CuTe trigonal pyramids, corners with three equivalent O(3)SrCu2Te trigonal pyramids, and edges with two equivalent O(2)Sr2CuTe trigonal pyramids. Br(1) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Sr2Cu2Te(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.258
_cell_length_b   9.494
_cell_length_c   9.557
_cell_angle_alpha   84.649
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   474.973
_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  0.102  0.818  0.277  1.0
  Sr  Sr1  1  0.602  0.682  0.723  1.0
  Sr  Sr2  1  0.398  0.318  0.277  1.0
  Sr  Sr3  1  0.898  0.182  0.723  1.0
  Cu  Cu4  1  0.517  0.635  0.081  1.0
  Cu  Cu5  1  0.983  0.135  0.081  1.0
  Cu  Cu6  1  0.483  0.365  0.919  1.0
  Cu  Cu7  1  0.017  0.865  0.919  1.0
  Te  Te8  1  0.000  0.500  0.000  1.0
  Te  Te9  1  0.500  0.000  0.000  1.0
  Br  Br10  1  0.612  0.664  0.389  1.0
  Br  Br11  1  0.888  0.164  0.389  1.0
  Br  Br12  1  0.112  0.836  0.611  1.0
  Br  Br13  1  0.388  0.336  0.611  1.0
  O  O14  1  0.298  0.546  0.883  1.0
  O  O15  1  0.187  0.558  0.164  1.0
  O  O16  1  0.202  0.046  0.883  1.0
  O  O17  1  0.831  0.688  0.967  1.0
  O  O18  1  0.813  0.442  0.836  1.0
  O  O19  1  0.798  0.954  0.117  1.0
  O  O20  1  0.702  0.454  0.117  1.0
  O  O21  1  0.669  0.188  0.967  1.0
  O  O22  1  0.687  0.942  0.836  1.0
  O  O23  1  0.169  0.312  0.033  1.0
  O  O24  1  0.313  0.058  0.164  1.0
  O  O25  1  0.331  0.812  0.033  1.0
[/CIF]
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The material structure described by Sr2Cu2Te(O3Br)2 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), two equivalent O(2), and three equivalent Br(1) atoms. Cu(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), and one Br(1) atom. Te(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Sr(1), two equivalent Cu(1), and one Te(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), one Cu(1), and one Te(1) atom to form distorted OSr2CuTe trigonal pyramids that share corners with two equivalent O(3)SrCu2Te trigonal pyramids, corners with three equivalent O(2)Sr2CuTe trigonal pyramids, and edges with two equivalent O(3)SrCu2Te trigonal pyramids. In the third O site, O(3) is bonded to one Sr(1), two equivalent Cu(1), and one Te(1) atom to form distorted OSrCu2Te trigonal pyramids that share corners with two equivalent O(2)Sr2CuTe trigonal pyramids, corners with three equivalent O(3)SrCu2Te trigonal pyramids, and edges with two equivalent O(2)Sr2CuTe trigonal pyramids. Br(1) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Sr2Cu2Te(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.258
_cell_length_b   9.494
_cell_length_c   9.557
_cell_angle_alpha   84.649
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   474.973
_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  0.102  0.818  0.277  1.0
  Sr  Sr1  1  0.602  0.682  0.723  1.0
  Sr  Sr2  1  0.398  0.318  0.277  1.0
  Sr  Sr3  1  0.898  0.182  0.723  1.0
  Cu  Cu4  1  0.517  0.635  0.081  1.0
  Cu  Cu5  1  0.983  0.135  0.081  1.0
  Cu  Cu6  1  0.483  0.365  0.919  1.0
  Cu  Cu7  1  0.017  0.865  0.919  1.0
  Te  Te8  1  0.000  0.500  0.000  1.0
  Te  Te9  1  0.500  0.000  0.000  1.0
  Br  Br10  1  0.612  0.664  0.389  1.0
  Br  Br11  1  0.888  0.164  0.389  1.0
  Br  Br12  1  0.112  0.836  0.611  1.0
  Br  Br13  1  0.388  0.336  0.611  1.0
  O  O14  1  0.298  0.546  0.883  1.0
  O  O15  1  0.187  0.558  0.164  1.0
  O  O16  1  0.202  0.046  0.883  1.0
  O  O17  1  0.831  0.688  0.967  1.0
  O  O18  1  0.813  0.442  0.836  1.0
  O  O19  1  0.798  0.954  0.117  1.0
  O  O20  1  0.702  0.454  0.117  1.0
  O  O21  1  0.669  0.188  0.967  1.0
  O  O22  1  0.687  0.942  0.836  1.0
  O  O23  1  0.169  0.312  0.033  1.0
  O  O24  1  0.313  0.058  0.164  1.0
  O  O25  1  0.331  0.812  0.033  1.0
[/CIF]
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