The material described by SrCu2O2 crystallizes in the tetragonal I4_1/amd space group. Sr(1) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing SrO6 octahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to three equivalent Sr(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OSr3Cu2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Sr(CuO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.451
_cell_length_b   5.451
_cell_length_c   6.246
_cell_angle_alpha   115.873
_cell_angle_beta   115.873
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.026
_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  0.625  0.375  0.250  1.0
  Sr  Sr1  1  0.375  0.625  0.750  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.000  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.125  0.375  0.250  1.0
  O  O7  1  0.375  0.125  0.750  1.0
  O  O8  1  0.875  0.625  0.750  1.0
  O  O9  1  0.625  0.875  0.250  1.0
[/CIF]
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The material described by SrCu2O2 crystallizes in the tetragonal I4_1/amd space group. Sr(1) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing SrO6 octahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to three equivalent Sr(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OSr3Cu2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Sr(CuO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.451
_cell_length_b   5.451
_cell_length_c   6.246
_cell_angle_alpha   115.873
_cell_angle_beta   115.873
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.026
_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  0.625  0.375  0.250  1.0
  Sr  Sr1  1  0.375  0.625  0.750  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.000  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.125  0.375  0.250  1.0
  O  O7  1  0.375  0.125  0.750  1.0
  O  O8  1  0.875  0.625  0.750  1.0
  O  O9  1  0.625  0.875  0.250  1.0
[/CIF]
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