The material structure described by BaCuSO crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. Cu(1) is bonded to two equivalent S(1) and two equivalent O(1) atoms to form distorted corner-sharing CuS2O2 tetrahedra. S(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and two equivalent Cu(1) atoms. O(1) is bonded to four equivalent Ba(1) and two equivalent Cu(1) atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 55°. is represented by the CIF card [CIF]
data_BaCuSO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.663
_cell_length_b   6.663
_cell_length_c   6.144
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   145.303
_symmetry_Int_Tables_number   1
_cell_volume   155.241
_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
  Ba  Ba0  1  0.896  0.104  0.750  1.0
  Ba  Ba1  1  0.104  0.896  0.250  1.0
  Cu  Cu2  1  0.397  0.603  0.250  1.0
  Cu  Cu3  1  0.603  0.397  0.750  1.0
  S  S4  1  0.816  0.184  0.250  1.0
  S  S5  1  0.184  0.816  0.750  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material structure described by BaCuSO crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. Cu(1) is bonded to two equivalent S(1) and two equivalent O(1) atoms to form distorted corner-sharing CuS2O2 tetrahedra. S(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and two equivalent Cu(1) atoms. O(1) is bonded to four equivalent Ba(1) and two equivalent Cu(1) atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 55°. is represented by the CIF card [CIF]
data_BaCuSO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.663
_cell_length_b   6.663
_cell_length_c   6.144
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   145.303
_symmetry_Int_Tables_number   1
_cell_volume   155.241
_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
  Ba  Ba0  1  0.896  0.104  0.750  1.0
  Ba  Ba1  1  0.104  0.896  0.250  1.0
  Cu  Cu2  1  0.397  0.603  0.250  1.0
  Cu  Cu3  1  0.603  0.397  0.750  1.0
  S  S4  1  0.816  0.184  0.250  1.0
  S  S5  1  0.184  0.816  0.750  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.500  0.500  0.000  1.0
[/CIF]
.