The crystal structure described by BaSr(CuO2)2 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(1) atoms. Sr(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Cu(1) atoms to form a mixture of corner, edge, and face-sharing OBa2Sr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSr(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.984
_cell_length_b   3.984
_cell_length_c   7.348
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   116.648
_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
  Ba  Ba0  1  0.000  0.000  0.500  1.0
  Sr  Sr1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.500  0.500  0.229  1.0
  Cu  Cu3  1  0.500  0.500  0.771  1.0
  O  O4  1  0.500  0.000  0.233  1.0
  O  O5  1  0.500  0.000  0.767  1.0
  O  O6  1  0.000  0.500  0.233  1.0
  O  O7  1  0.000  0.500  0.767  1.0
[/CIF]
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The crystal structure described by BaSr(CuO2)2 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(1) atoms. Sr(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Cu(1) atoms to form a mixture of corner, edge, and face-sharing OBa2Sr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSr(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.984
_cell_length_b   3.984
_cell_length_c   7.348
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   116.648
_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
  Ba  Ba0  1  0.000  0.000  0.500  1.0
  Sr  Sr1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.500  0.500  0.229  1.0
  Cu  Cu3  1  0.500  0.500  0.771  1.0
  O  O4  1  0.500  0.000  0.233  1.0
  O  O5  1  0.500  0.000  0.767  1.0
  O  O6  1  0.000  0.500  0.233  1.0
  O  O7  1  0.000  0.500  0.767  1.0
[/CIF]
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