The compound described by BaPdS2 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent S(1) atoms. S(1) is bonded to four equivalent Ba(1) and two equivalent Pd(1) atoms to form a mixture of edge, corner, and face-sharing SBa4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaPdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.832
_cell_length_b   4.832
_cell_length_c   4.346
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.459
_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  0.500  0.500  0.500  1.0
  Pd  Pd1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.000  0.500  0.000  1.0
  S  S3  1  0.500  0.000  0.000  1.0
[/CIF]
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The compound described by BaPdS2 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent S(1) atoms. S(1) is bonded to four equivalent Ba(1) and two equivalent Pd(1) atoms to form a mixture of edge, corner, and face-sharing SBa4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaPdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.832
_cell_length_b   4.832
_cell_length_c   4.346
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.459
_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  0.500  0.500  0.500  1.0
  Pd  Pd1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.000  0.500  0.000  1.0
  S  S3  1  0.500  0.000  0.000  1.0
[/CIF]
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