The compound described by BaSrCoCu2(SO)2 crystallizes in the tetragonal I4mm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(2) and four equivalent O(1) atoms. Co(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Cu(1) atoms. O(1) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Co(1) atoms to form a mixture of distorted face, corner, and edge-sharing OBa2Sr2Co2 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the CIF card [CIF]
data_BaSrCoCu2(SO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.974
_cell_length_b   3.974
_cell_length_c   10.031
_cell_angle_alpha   78.574
_cell_angle_beta   78.574
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.082
_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  0.597  0.597  0.806  1.0
  Sr  Sr1  1  0.407  0.407  0.187  1.0
  Co  Co2  1  0.995  0.995  0.009  1.0
  Cu  Cu3  1  0.252  0.752  0.495  1.0
  Cu  Cu4  1  0.752  0.252  0.495  1.0
  S  S5  1  0.181  0.181  0.638  1.0
  S  S6  1  0.825  0.825  0.349  1.0
  O  O7  1  0.995  0.495  0.010  1.0
  O  O8  1  0.495  0.995  0.010  1.0
[/CIF]
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The compound described by BaSrCoCu2(SO)2 crystallizes in the tetragonal I4mm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(2) and four equivalent O(1) atoms. Co(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Cu(1) atoms. O(1) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Co(1) atoms to form a mixture of distorted face, corner, and edge-sharing OBa2Sr2Co2 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the CIF card [CIF]
data_BaSrCoCu2(SO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.974
_cell_length_b   3.974
_cell_length_c   10.031
_cell_angle_alpha   78.574
_cell_angle_beta   78.574
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.082
_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  0.597  0.597  0.806  1.0
  Sr  Sr1  1  0.407  0.407  0.187  1.0
  Co  Co2  1  0.995  0.995  0.009  1.0
  Cu  Cu3  1  0.252  0.752  0.495  1.0
  Cu  Cu4  1  0.752  0.252  0.495  1.0
  S  S5  1  0.181  0.181  0.638  1.0
  S  S6  1  0.825  0.825  0.349  1.0
  O  O7  1  0.995  0.495  0.010  1.0
  O  O8  1  0.495  0.995  0.010  1.0
[/CIF]
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