The material described by Sr2CuO2Br2 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(1,2) and two equivalent Br(1) atoms to form a mixture of edge and corner-sharing SrBr2O4 octahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded in a square co-planar geometry to four equivalent Br(1) atoms. O(1,2) is bonded in a square co-planar geometry to four equivalent Sr(1) atoms. Br(1) is bonded in a square co-planar geometry to two equivalent Sr(1) and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Cu(BrO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.945
_cell_length_b   4.945
_cell_length_c   6.378
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.986
_cell_formula_units_Z   1
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  0.000  0.500  0.500  1.0
  Sr  Sr1  1  0.500  0.000  0.500  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Br  Br3  1  0.000  0.500  0.000  1.0
  Br  Br4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material described by Sr2CuO2Br2 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(1,2) and two equivalent Br(1) atoms to form a mixture of edge and corner-sharing SrBr2O4 octahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded in a square co-planar geometry to four equivalent Br(1) atoms. O(1,2) is bonded in a square co-planar geometry to four equivalent Sr(1) atoms. Br(1) is bonded in a square co-planar geometry to two equivalent Sr(1) and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Cu(BrO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.945
_cell_length_b   4.945
_cell_length_c   6.378
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.986
_cell_formula_units_Z   1
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  0.000  0.500  0.500  1.0
  Sr  Sr1  1  0.500  0.000  0.500  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Br  Br3  1  0.000  0.500  0.000  1.0
  Br  Br4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.500  0.500  0.500  1.0
[/CIF]
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