The material structure described by Ca2WPdO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Ca(1)O12 cuboctahedra, faces with six equivalent Ca(1)O12 cuboctahedra, faces with four equivalent W(1)O6 octahedra, and faces with four equivalent Pd(1)O6 octahedra. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Pd(1)O6 octahedra and faces with eight equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Pd(1) is bonded to six equivalent O(1) atoms to form PdO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with eight equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to four equivalent Ca(1), one W(1), and one Pd(1) atom to form a mixture of distorted face, corner, and edge-sharing OCa4PdW octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_Ca2PdWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.754
_cell_length_b   5.754
_cell_length_c   5.754
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   134.678
_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
  Ca  Ca0  1  0.250  0.250  0.250  1.0
  Ca  Ca1  1  0.750  0.750  0.750  1.0
  Pd  Pd2  1  0.500  0.500  0.500  1.0
  W  W3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.763  0.237  0.763  1.0
  O  O5  1  0.237  0.237  0.763  1.0
  O  O6  1  0.763  0.763  0.237  1.0
  O  O7  1  0.763  0.237  0.237  1.0
  O  O8  1  0.237  0.763  0.237  1.0
  O  O9  1  0.237  0.763  0.763  1.0
[/CIF]
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The material structure described by Ca2WPdO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Ca(1)O12 cuboctahedra, faces with six equivalent Ca(1)O12 cuboctahedra, faces with four equivalent W(1)O6 octahedra, and faces with four equivalent Pd(1)O6 octahedra. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Pd(1)O6 octahedra and faces with eight equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Pd(1) is bonded to six equivalent O(1) atoms to form PdO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with eight equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to four equivalent Ca(1), one W(1), and one Pd(1) atom to form a mixture of distorted face, corner, and edge-sharing OCa4PdW octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_Ca2PdWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.754
_cell_length_b   5.754
_cell_length_c   5.754
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   134.678
_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
  Ca  Ca0  1  0.250  0.250  0.250  1.0
  Ca  Ca1  1  0.750  0.750  0.750  1.0
  Pd  Pd2  1  0.500  0.500  0.500  1.0
  W  W3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.763  0.237  0.763  1.0
  O  O5  1  0.237  0.237  0.763  1.0
  O  O6  1  0.763  0.763  0.237  1.0
  O  O7  1  0.763  0.237  0.237  1.0
  O  O8  1  0.237  0.763  0.237  1.0
  O  O9  1  0.237  0.763  0.763  1.0
[/CIF]
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