The material structure described by K2PdAs2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to four equivalent Pd(1) and six equivalent As(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent Pd(1) and six equivalent As(1) atoms. Pd(1) is bonded to two equivalent K(2), four equivalent K(1), two equivalent Pd(1), and four equivalent As(1) atoms to form a mixture of distorted face, corner, and edge-sharing PdK6As4Pd2 cuboctahedra. As(1) is bonded in a 9-coordinate geometry to three equivalent K(1), three equivalent K(2), two equivalent Pd(1), and one As(1) atom. is represented by the CIF file [CIF]
data_K2As2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.003
_cell_length_b   6.518
_cell_length_c   7.935
_cell_angle_alpha   114.248
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   283.104
_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  0.750  0.420  0.840  1.0
  K  K1  1  0.250  0.580  0.160  1.0
  K  K2  1  0.750  0.795  0.589  1.0
  K  K3  1  0.250  0.205  0.411  1.0
  As  As4  1  0.250  0.704  0.777  1.0
  As  As5  1  0.750  0.296  0.223  1.0
  As  As6  1  0.750  0.927  0.223  1.0
  As  As7  1  0.250  0.073  0.777  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 material structure described by K2PdAs2 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to four equivalent Pd(1) and six equivalent As(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent Pd(1) and six equivalent As(1) atoms. Pd(1) is bonded to two equivalent K(2), four equivalent K(1), two equivalent Pd(1), and four equivalent As(1) atoms to form a mixture of distorted face, corner, and edge-sharing PdK6As4Pd2 cuboctahedra. As(1) is bonded in a 9-coordinate geometry to three equivalent K(1), three equivalent K(2), two equivalent Pd(1), and one As(1) atom. is represented by the CIF file [CIF]
data_K2As2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.003
_cell_length_b   6.518
_cell_length_c   7.935
_cell_angle_alpha   114.248
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   283.104
_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  0.750  0.420  0.840  1.0
  K  K1  1  0.250  0.580  0.160  1.0
  K  K2  1  0.750  0.795  0.589  1.0
  K  K3  1  0.250  0.205  0.411  1.0
  As  As4  1  0.250  0.704  0.777  1.0
  As  As5  1  0.750  0.296  0.223  1.0
  As  As6  1  0.750  0.927  0.223  1.0
  As  As7  1  0.250  0.073  0.777  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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