The compound described by K2Pd3Se4 crystallizes in the orthorhombic Fddd space group. K(1) is bonded in a 14-coordinate geometry to two equivalent Pd(2), four equivalent Pd(1), and eight equivalent Se(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted square co-planar geometry to four equivalent K(1) and four equivalent Se(1) atoms. In the second Pd site, Pd(2) is bonded in a distorted square co-planar geometry to four equivalent K(1) and four equivalent Se(1) atoms. Se(1) is bonded in a 7-coordinate geometry to four equivalent K(1), one Pd(2), and two equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_K2Pd3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.358
_cell_length_b   6.373
_cell_length_c   13.647
_cell_angle_alpha   83.327
_cell_angle_beta   76.530
_cell_angle_gamma   60.076
_symmetry_Int_Tables_number   1
_cell_volume   466.008
_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
  K  K0  1  0.301  0.250  0.398  1.0
  K  K1  1  0.449  0.250  0.102  1.0
  K  K2  1  0.699  0.750  0.602  1.0
  K  K3  1  0.551  0.750  0.898  1.0
  Pd  Pd4  1  0.374  0.750  0.252  1.0
  Pd  Pd5  1  0.124  0.250  0.752  1.0
  Pd  Pd6  1  0.626  0.250  0.748  1.0
  Pd  Pd7  1  0.125  0.750  0.750  1.0
  Pd  Pd8  1  0.875  0.250  0.250  1.0
  Pd  Pd9  1  0.876  0.750  0.248  1.0
  Se  Se10  1  0.347  0.417  0.626  1.0
  Se  Se11  1  0.027  0.083  0.626  1.0
  Se  Se12  1  0.236  0.417  0.874  1.0
  Se  Se13  1  0.111  0.917  0.126  1.0
  Se  Se14  1  0.653  0.583  0.374  1.0
  Se  Se15  1  0.889  0.083  0.874  1.0
  Se  Se16  1  0.764  0.583  0.126  1.0
  Se  Se17  1  0.973  0.917  0.374  1.0
[/CIF]
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The compound described by K2Pd3Se4 crystallizes in the orthorhombic Fddd space group. K(1) is bonded in a 14-coordinate geometry to two equivalent Pd(2), four equivalent Pd(1), and eight equivalent Se(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted square co-planar geometry to four equivalent K(1) and four equivalent Se(1) atoms. In the second Pd site, Pd(2) is bonded in a distorted square co-planar geometry to four equivalent K(1) and four equivalent Se(1) atoms. Se(1) is bonded in a 7-coordinate geometry to four equivalent K(1), one Pd(2), and two equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_K2Pd3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.358
_cell_length_b   6.373
_cell_length_c   13.647
_cell_angle_alpha   83.327
_cell_angle_beta   76.530
_cell_angle_gamma   60.076
_symmetry_Int_Tables_number   1
_cell_volume   466.008
_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
  K  K0  1  0.301  0.250  0.398  1.0
  K  K1  1  0.449  0.250  0.102  1.0
  K  K2  1  0.699  0.750  0.602  1.0
  K  K3  1  0.551  0.750  0.898  1.0
  Pd  Pd4  1  0.374  0.750  0.252  1.0
  Pd  Pd5  1  0.124  0.250  0.752  1.0
  Pd  Pd6  1  0.626  0.250  0.748  1.0
  Pd  Pd7  1  0.125  0.750  0.750  1.0
  Pd  Pd8  1  0.875  0.250  0.250  1.0
  Pd  Pd9  1  0.876  0.750  0.248  1.0
  Se  Se10  1  0.347  0.417  0.626  1.0
  Se  Se11  1  0.027  0.083  0.626  1.0
  Se  Se12  1  0.236  0.417  0.874  1.0
  Se  Se13  1  0.111  0.917  0.126  1.0
  Se  Se14  1  0.653  0.583  0.374  1.0
  Se  Se15  1  0.889  0.083  0.874  1.0
  Se  Se16  1  0.764  0.583  0.126  1.0
  Se  Se17  1  0.973  0.917  0.374  1.0
[/CIF]
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