The compound described by Cs2Pd3Se4 crystallizes in the orthorhombic Fmmm space group. Cs(1) is bonded in a 14-coordinate geometry to two equivalent Pd(1), four equivalent Pd(2), 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 Cs(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 Cs(1) and four equivalent Se(1) atoms. Se(1) is bonded in a 7-coordinate geometry to four equivalent Cs(1), one Pd(1), and two equivalent Pd(2) atoms. is represented by the CIF card [CIF]
data_Cs2Pd3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.476
_cell_length_b   6.476
_cell_length_c   7.986
_cell_angle_alpha   102.034
_cell_angle_beta   102.035
_cell_angle_gamma   119.095
_symmetry_Int_Tables_number   1
_cell_volume   266.712
_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
  Cs  Cs0  1  0.654  0.654  0.308  1.0
  Cs  Cs1  1  0.346  0.346  0.692  1.0
  Pd  Pd2  1  0.000  0.000  0.000  1.0
  Pd  Pd3  1  0.500  0.000  0.000  1.0
  Pd  Pd4  1  0.000  0.500  0.000  1.0
  Se  Se5  1  0.057  0.721  0.778  1.0
  Se  Se6  1  0.943  0.279  0.222  1.0
  Se  Se7  1  0.279  0.943  0.222  1.0
  Se  Se8  1  0.721  0.057  0.778  1.0
[/CIF]
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The compound described by Cs2Pd3Se4 crystallizes in the orthorhombic Fmmm space group. Cs(1) is bonded in a 14-coordinate geometry to two equivalent Pd(1), four equivalent Pd(2), 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 Cs(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 Cs(1) and four equivalent Se(1) atoms. Se(1) is bonded in a 7-coordinate geometry to four equivalent Cs(1), one Pd(1), and two equivalent Pd(2) atoms. is represented by the CIF card [CIF]
data_Cs2Pd3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.476
_cell_length_b   6.476
_cell_length_c   7.986
_cell_angle_alpha   102.034
_cell_angle_beta   102.035
_cell_angle_gamma   119.095
_symmetry_Int_Tables_number   1
_cell_volume   266.712
_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
  Cs  Cs0  1  0.654  0.654  0.308  1.0
  Cs  Cs1  1  0.346  0.346  0.692  1.0
  Pd  Pd2  1  0.000  0.000  0.000  1.0
  Pd  Pd3  1  0.500  0.000  0.000  1.0
  Pd  Pd4  1  0.000  0.500  0.000  1.0
  Se  Se5  1  0.057  0.721  0.778  1.0
  Se  Se6  1  0.943  0.279  0.222  1.0
  Se  Se7  1  0.279  0.943  0.222  1.0
  Se  Se8  1  0.721  0.057  0.778  1.0
[/CIF]
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