The material structure described by Ba2CdS3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), and four equivalent S(3) atoms. Cd(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form corner-sharing CdS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), and two equivalent Cd(1) atoms. In the second S site, S(2) is bonded to two equivalent Ba(2), three equivalent Ba(1), and one Cd(1) atom to form a mixture of distorted corner, face, and edge-sharing SBa5Cd octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third S site, S(3) is bonded to one Ba(1), four equivalent Ba(2), and one Cd(1) atom to form a mixture of corner, face, and edge-sharing SBa5Cd octahedra. The corner-sharing octahedral tilt angles range from 22-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2CdS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.383
_cell_length_b   9.027
_cell_length_c   17.446
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   690.313
_cell_formula_units_Z   4
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  0.250  0.765  0.958  1.0
  Ba  Ba1  1  0.750  0.735  0.458  1.0
  Ba  Ba2  1  0.250  0.265  0.542  1.0
  Ba  Ba3  1  0.750  0.235  0.042  1.0
  Ba  Ba4  1  0.250  0.419  0.285  1.0
  Ba  Ba5  1  0.750  0.581  0.715  1.0
  Ba  Ba6  1  0.250  0.919  0.215  1.0
  Ba  Ba7  1  0.750  0.081  0.785  1.0
  Cd  Cd8  1  0.750  0.121  0.369  1.0
  Cd  Cd9  1  0.750  0.621  0.131  1.0
  Cd  Cd10  1  0.250  0.879  0.631  1.0
  Cd  Cd11  1  0.250  0.379  0.869  1.0
  S  S12  1  0.250  0.985  0.404  1.0
  S  S13  1  0.750  0.015  0.596  1.0
  S  S14  1  0.250  0.485  0.096  1.0
  S  S15  1  0.750  0.515  0.904  1.0
  S  S16  1  0.250  0.122  0.927  1.0
  S  S17  1  0.750  0.878  0.073  1.0
  S  S18  1  0.250  0.622  0.573  1.0
  S  S19  1  0.750  0.182  0.226  1.0
  S  S20  1  0.250  0.318  0.726  1.0
  S  S21  1  0.750  0.682  0.274  1.0
  S  S22  1  0.250  0.818  0.774  1.0
  S  S23  1  0.750  0.378  0.427  1.0
[/CIF]
.
The material structure described by Ba2CdS3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), and four equivalent S(3) atoms. Cd(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form corner-sharing CdS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), and two equivalent Cd(1) atoms. In the second S site, S(2) is bonded to two equivalent Ba(2), three equivalent Ba(1), and one Cd(1) atom to form a mixture of distorted corner, face, and edge-sharing SBa5Cd octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third S site, S(3) is bonded to one Ba(1), four equivalent Ba(2), and one Cd(1) atom to form a mixture of corner, face, and edge-sharing SBa5Cd octahedra. The corner-sharing octahedral tilt angles range from 22-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2CdS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.383
_cell_length_b   9.027
_cell_length_c   17.446
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   690.313
_cell_formula_units_Z   4
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  0.250  0.765  0.958  1.0
  Ba  Ba1  1  0.750  0.735  0.458  1.0
  Ba  Ba2  1  0.250  0.265  0.542  1.0
  Ba  Ba3  1  0.750  0.235  0.042  1.0
  Ba  Ba4  1  0.250  0.419  0.285  1.0
  Ba  Ba5  1  0.750  0.581  0.715  1.0
  Ba  Ba6  1  0.250  0.919  0.215  1.0
  Ba  Ba7  1  0.750  0.081  0.785  1.0
  Cd  Cd8  1  0.750  0.121  0.369  1.0
  Cd  Cd9  1  0.750  0.621  0.131  1.0
  Cd  Cd10  1  0.250  0.879  0.631  1.0
  Cd  Cd11  1  0.250  0.379  0.869  1.0
  S  S12  1  0.250  0.985  0.404  1.0
  S  S13  1  0.750  0.015  0.596  1.0
  S  S14  1  0.250  0.485  0.096  1.0
  S  S15  1  0.750  0.515  0.904  1.0
  S  S16  1  0.250  0.122  0.927  1.0
  S  S17  1  0.750  0.878  0.073  1.0
  S  S18  1  0.250  0.622  0.573  1.0
  S  S19  1  0.750  0.182  0.226  1.0
  S  S20  1  0.250  0.318  0.726  1.0
  S  S21  1  0.750  0.682  0.274  1.0
  S  S22  1  0.250  0.818  0.774  1.0
  S  S23  1  0.750  0.378  0.427  1.0
[/CIF]
.