The material structure described by Bi2Pd3Se2 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 6-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent Se(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 Se(1) atoms. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent Se(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted hexagonal planar 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. Se(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_Bi2Pd3Se2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.316
_cell_length_b   7.316
_cell_length_c   8.496
_cell_angle_alpha   55.968
_cell_angle_beta   55.968
_cell_angle_gamma   71.361
_symmetry_Int_Tables_number   1
_cell_volume   312.289
_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  0.249  0.249  0.736  1.0
  Bi  Bi1  1  0.751  0.751  0.264  1.0
  Bi  Bi2  1  0.203  0.203  0.314  1.0
  Bi  Bi3  1  0.797  0.797  0.686  1.0
  Pd  Pd4  1  0.000  0.500  0.500  1.0
  Pd  Pd5  1  0.500  0.000  0.500  1.0
  Pd  Pd6  1  0.031  0.031  0.187  1.0
  Pd  Pd7  1  0.969  0.969  0.813  1.0
  Pd  Pd8  1  0.715  0.285  0.500  1.0
  Pd  Pd9  1  0.285  0.715  0.500  1.0
  Se  Se10  1  0.742  0.319  0.182  1.0
  Se  Se11  1  0.319  0.742  0.182  1.0
  Se  Se12  1  0.258  0.681  0.818  1.0
  Se  Se13  1  0.681  0.258  0.818  1.0
[/CIF]
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The material structure described by Bi2Pd3Se2 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 6-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent Se(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 Se(1) atoms. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), and two equivalent Se(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted hexagonal planar 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. Se(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_Bi2Pd3Se2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.316
_cell_length_b   7.316
_cell_length_c   8.496
_cell_angle_alpha   55.968
_cell_angle_beta   55.968
_cell_angle_gamma   71.361
_symmetry_Int_Tables_number   1
_cell_volume   312.289
_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  0.249  0.249  0.736  1.0
  Bi  Bi1  1  0.751  0.751  0.264  1.0
  Bi  Bi2  1  0.203  0.203  0.314  1.0
  Bi  Bi3  1  0.797  0.797  0.686  1.0
  Pd  Pd4  1  0.000  0.500  0.500  1.0
  Pd  Pd5  1  0.500  0.000  0.500  1.0
  Pd  Pd6  1  0.031  0.031  0.187  1.0
  Pd  Pd7  1  0.969  0.969  0.813  1.0
  Pd  Pd8  1  0.715  0.285  0.500  1.0
  Pd  Pd9  1  0.285  0.715  0.500  1.0
  Se  Se10  1  0.742  0.319  0.182  1.0
  Se  Se11  1  0.319  0.742  0.182  1.0
  Se  Se12  1  0.258  0.681  0.818  1.0
  Se  Se13  1  0.681  0.258  0.818  1.0
[/CIF]
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