The compound described by Pd3Bi2S2 crystallizes in the monoclinic C2/m space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 2-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent S(1) atoms. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent S(1) atoms. In the third Pd site, Pd(3) is bonded in a 2-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent S(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), and two equivalent Pd(3) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), and two equivalent Pd(3) atoms. S(1) is bonded in a distorted T-shaped geometry to one Pd(1), one Pd(2), and one Pd(3) atom. is represented by the CIF file [CIF]
data_Bi2Pd3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.277
_cell_length_b   7.277
_cell_length_c   7.287
_cell_angle_alpha   110.429
_cell_angle_beta   108.542
_cell_angle_gamma   109.396
_symmetry_Int_Tables_number   1
_cell_volume   297.153
_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
  Bi  Bi0  1  0.747  0.987  0.734  1.0
  Bi  Bi1  1  0.253  0.013  0.266  1.0
  Bi  Bi2  1  0.781  0.503  0.284  1.0
  Bi  Bi3  1  0.219  0.497  0.716  1.0
  Pd  Pd4  1  0.000  0.000  0.500  1.0
  Pd  Pd5  1  0.500  0.500  0.500  1.0
  Pd  Pd6  1  0.970  0.221  0.191  1.0
  Pd  Pd7  1  0.030  0.779  0.809  1.0
  Pd  Pd8  1  0.277  0.777  0.500  1.0
  Pd  Pd9  1  0.723  0.223  0.500  1.0
  S  S10  1  0.255  0.497  0.198  1.0
  S  S11  1  0.700  0.943  0.198  1.0
  S  S12  1  0.745  0.503  0.802  1.0
  S  S13  1  0.300  0.057  0.802  1.0
[/CIF]
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The compound described by Pd3Bi2S2 crystallizes in the monoclinic C2/m space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 2-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent S(1) atoms. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent S(1) atoms. In the third Pd site, Pd(3) is bonded in a 2-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent S(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), and two equivalent Pd(3) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), and two equivalent Pd(3) atoms. S(1) is bonded in a distorted T-shaped geometry to one Pd(1), one Pd(2), and one Pd(3) atom. is represented by the CIF file [CIF]
data_Bi2Pd3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.277
_cell_length_b   7.277
_cell_length_c   7.287
_cell_angle_alpha   110.429
_cell_angle_beta   108.542
_cell_angle_gamma   109.396
_symmetry_Int_Tables_number   1
_cell_volume   297.153
_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
  Bi  Bi0  1  0.747  0.987  0.734  1.0
  Bi  Bi1  1  0.253  0.013  0.266  1.0
  Bi  Bi2  1  0.781  0.503  0.284  1.0
  Bi  Bi3  1  0.219  0.497  0.716  1.0
  Pd  Pd4  1  0.000  0.000  0.500  1.0
  Pd  Pd5  1  0.500  0.500  0.500  1.0
  Pd  Pd6  1  0.970  0.221  0.191  1.0
  Pd  Pd7  1  0.030  0.779  0.809  1.0
  Pd  Pd8  1  0.277  0.777  0.500  1.0
  Pd  Pd9  1  0.723  0.223  0.500  1.0
  S  S10  1  0.255  0.497  0.198  1.0
  S  S11  1  0.700  0.943  0.198  1.0
  S  S12  1  0.745  0.503  0.802  1.0
  S  S13  1  0.300  0.057  0.802  1.0
[/CIF]
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