The crystal structure described by Sr2CuSe2(O3Cl)2 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(3), three equivalent O(2), and three equivalent Cl(1) atoms. Cu(1) is bonded in a distorted octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent Cl(1) atoms. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Cu(1), and one Se(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Sr(1) and one Se(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), one Cu(1), and one Se(1) atom to form distorted corner-sharing OSr2CuSe tetrahedra. Cl(1) is bonded in a distorted see-saw-like geometry to three equivalent Sr(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_Sr2CuSe2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.618
_cell_length_b   5.269
_cell_length_c   13.528
_cell_angle_alpha   68.539
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.992
_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  0.783  0.781  0.732  1.0
  Sr  Sr1  1  0.717  0.781  0.232  1.0
  Sr  Sr2  1  0.217  0.219  0.268  1.0
  Sr  Sr3  1  0.283  0.219  0.768  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
  Se  Se6  1  0.254  0.922  0.573  1.0
  Se  Se7  1  0.246  0.922  0.073  1.0
  Se  Se8  1  0.746  0.078  0.427  1.0
  Se  Se9  1  0.754  0.078  0.927  1.0
  Cl  Cl10  1  0.644  0.417  0.615  1.0
  Cl  Cl11  1  0.856  0.417  0.115  1.0
  Cl  Cl12  1  0.356  0.583  0.385  1.0
  Cl  Cl13  1  0.144  0.583  0.885  1.0
  O  O14  1  0.070  0.124  0.604  1.0
  O  O15  1  0.430  0.124  0.104  1.0
  O  O16  1  0.930  0.876  0.396  1.0
  O  O17  1  0.570  0.876  0.896  1.0
  O  O18  1  0.406  0.858  0.681  1.0
  O  O19  1  0.094  0.858  0.181  1.0
  O  O20  1  0.594  0.142  0.319  1.0
  O  O21  1  0.906  0.142  0.819  1.0
  O  O22  1  0.109  0.622  0.614  1.0
  O  O23  1  0.391  0.622  0.114  1.0
  O  O24  1  0.891  0.378  0.386  1.0
  O  O25  1  0.609  0.378  0.886  1.0
[/CIF]
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The crystal structure described by Sr2CuSe2(O3Cl)2 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(3), three equivalent O(2), and three equivalent Cl(1) atoms. Cu(1) is bonded in a distorted octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent Cl(1) atoms. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Cu(1), and one Se(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Sr(1) and one Se(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), one Cu(1), and one Se(1) atom to form distorted corner-sharing OSr2CuSe tetrahedra. Cl(1) is bonded in a distorted see-saw-like geometry to three equivalent Sr(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_Sr2CuSe2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.618
_cell_length_b   5.269
_cell_length_c   13.528
_cell_angle_alpha   68.539
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.992
_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  0.783  0.781  0.732  1.0
  Sr  Sr1  1  0.717  0.781  0.232  1.0
  Sr  Sr2  1  0.217  0.219  0.268  1.0
  Sr  Sr3  1  0.283  0.219  0.768  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
  Se  Se6  1  0.254  0.922  0.573  1.0
  Se  Se7  1  0.246  0.922  0.073  1.0
  Se  Se8  1  0.746  0.078  0.427  1.0
  Se  Se9  1  0.754  0.078  0.927  1.0
  Cl  Cl10  1  0.644  0.417  0.615  1.0
  Cl  Cl11  1  0.856  0.417  0.115  1.0
  Cl  Cl12  1  0.356  0.583  0.385  1.0
  Cl  Cl13  1  0.144  0.583  0.885  1.0
  O  O14  1  0.070  0.124  0.604  1.0
  O  O15  1  0.430  0.124  0.104  1.0
  O  O16  1  0.930  0.876  0.396  1.0
  O  O17  1  0.570  0.876  0.896  1.0
  O  O18  1  0.406  0.858  0.681  1.0
  O  O19  1  0.094  0.858  0.181  1.0
  O  O20  1  0.594  0.142  0.319  1.0
  O  O21  1  0.906  0.142  0.819  1.0
  O  O22  1  0.109  0.622  0.614  1.0
  O  O23  1  0.391  0.622  0.114  1.0
  O  O24  1  0.891  0.378  0.386  1.0
  O  O25  1  0.609  0.378  0.886  1.0
[/CIF]
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