The crystal structure described by Cu2Pd3Se4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to two equivalent Cu(1), two equivalent Se(1), and two equivalent Se(2) atoms. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to two equivalent Cu(1), two equivalent Se(1), and two equivalent Se(2) atoms. Cu(1) is bonded in a 2-coordinate geometry to one Pd(2), two equivalent Pd(1), one Se(1), and three equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Pd(2), two equivalent Pd(1), and one Cu(1) atom to form distorted corner-sharing SeCuPd3 tetrahedra. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to one Pd(2), two equivalent Pd(1), and three equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Cu2Pd3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.993
_cell_length_b   5.722
_cell_length_c   6.302
_cell_angle_alpha   64.516
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   325.264
_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
  Cu  Cu0  1  0.193  0.382  0.984  1.0
  Cu  Cu1  1  0.807  0.618  0.016  1.0
  Cu  Cu2  1  0.693  0.618  0.516  1.0
  Cu  Cu3  1  0.307  0.382  0.484  1.0
  Pd  Pd4  1  0.128  0.740  0.501  1.0
  Pd  Pd5  1  0.872  0.260  0.499  1.0
  Pd  Pd6  1  0.628  0.260  0.999  1.0
  Pd  Pd7  1  0.372  0.740  0.001  1.0
  Pd  Pd8  1  0.500  0.000  0.500  1.0
  Pd  Pd9  1  0.000  0.000  0.000  1.0
  Se  Se10  1  0.187  0.987  0.734  1.0
  Se  Se11  1  0.813  0.013  0.266  1.0
  Se  Se12  1  0.687  0.013  0.766  1.0
  Se  Se13  1  0.313  0.987  0.234  1.0
  Se  Se14  1  0.445  0.530  0.740  1.0
  Se  Se15  1  0.555  0.470  0.260  1.0
  Se  Se16  1  0.945  0.470  0.760  1.0
  Se  Se17  1  0.055  0.530  0.240  1.0
[/CIF]
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The crystal structure described by Cu2Pd3Se4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to two equivalent Cu(1), two equivalent Se(1), and two equivalent Se(2) atoms. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to two equivalent Cu(1), two equivalent Se(1), and two equivalent Se(2) atoms. Cu(1) is bonded in a 2-coordinate geometry to one Pd(2), two equivalent Pd(1), one Se(1), and three equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Pd(2), two equivalent Pd(1), and one Cu(1) atom to form distorted corner-sharing SeCuPd3 tetrahedra. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to one Pd(2), two equivalent Pd(1), and three equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Cu2Pd3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.993
_cell_length_b   5.722
_cell_length_c   6.302
_cell_angle_alpha   64.516
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   325.264
_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
  Cu  Cu0  1  0.193  0.382  0.984  1.0
  Cu  Cu1  1  0.807  0.618  0.016  1.0
  Cu  Cu2  1  0.693  0.618  0.516  1.0
  Cu  Cu3  1  0.307  0.382  0.484  1.0
  Pd  Pd4  1  0.128  0.740  0.501  1.0
  Pd  Pd5  1  0.872  0.260  0.499  1.0
  Pd  Pd6  1  0.628  0.260  0.999  1.0
  Pd  Pd7  1  0.372  0.740  0.001  1.0
  Pd  Pd8  1  0.500  0.000  0.500  1.0
  Pd  Pd9  1  0.000  0.000  0.000  1.0
  Se  Se10  1  0.187  0.987  0.734  1.0
  Se  Se11  1  0.813  0.013  0.266  1.0
  Se  Se12  1  0.687  0.013  0.766  1.0
  Se  Se13  1  0.313  0.987  0.234  1.0
  Se  Se14  1  0.445  0.530  0.740  1.0
  Se  Se15  1  0.555  0.470  0.260  1.0
  Se  Se16  1  0.945  0.470  0.760  1.0
  Se  Se17  1  0.055  0.530  0.240  1.0
[/CIF]
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