The crystal structure described by Cs2PdAs2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to two equivalent Pd(1) and six equivalent As(1) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to six equivalent As(1) atoms. Pd(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1) and four equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to three equivalent Cs(1), three equivalent Cs(2), two equivalent Pd(1), and one As(1) atom. is represented by the CIF file [CIF]
data_Cs2As2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.382
_cell_length_b   7.088
_cell_length_c   8.406
_cell_angle_alpha   114.937
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   344.773
_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
  Cs  Cs0  1  0.250  0.208  0.416  1.0
  Cs  Cs1  1  0.750  0.792  0.584  1.0
  Cs  Cs2  1  0.250  0.586  0.172  1.0
  Cs  Cs3  1  0.750  0.414  0.828  1.0
  As  As4  1  0.750  0.270  0.201  1.0
  As  As5  1  0.250  0.730  0.799  1.0
  As  As6  1  0.250  0.069  0.799  1.0
  As  As7  1  0.750  0.931  0.201  1.0
  Pd  Pd8  1  0.000  0.000  0.000  1.0
  Pd  Pd9  1  0.500  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Cs2PdAs2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to two equivalent Pd(1) and six equivalent As(1) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to six equivalent As(1) atoms. Pd(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1) and four equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to three equivalent Cs(1), three equivalent Cs(2), two equivalent Pd(1), and one As(1) atom. is represented by the CIF file [CIF]
data_Cs2As2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.382
_cell_length_b   7.088
_cell_length_c   8.406
_cell_angle_alpha   114.937
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   344.773
_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
  Cs  Cs0  1  0.250  0.208  0.416  1.0
  Cs  Cs1  1  0.750  0.792  0.584  1.0
  Cs  Cs2  1  0.250  0.586  0.172  1.0
  Cs  Cs3  1  0.750  0.414  0.828  1.0
  As  As4  1  0.750  0.270  0.201  1.0
  As  As5  1  0.250  0.730  0.799  1.0
  As  As6  1  0.250  0.069  0.799  1.0
  As  As7  1  0.750  0.931  0.201  1.0
  Pd  Pd8  1  0.000  0.000  0.000  1.0
  Pd  Pd9  1  0.500  0.000  0.000  1.0
[/CIF]
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