The material structure described by Sr4PdO6 crystallizes in the trigonal R-3c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Pd(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded to one Sr(1), four equivalent Sr(2), and one Pd(1) atom to form a mixture of distorted edge, face, and corner-sharing OSr5Pd octahedra. The corner-sharing octahedral tilt angles range from 0-63°. is represented by the CIF card [CIF]
data_Sr4PdO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.885
_cell_length_b   6.885
_cell_length_c   6.885
_cell_angle_alpha   89.983
_cell_angle_beta   89.983
_cell_angle_gamma   89.983
_symmetry_Int_Tables_number   1
_cell_volume   326.399
_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
  Sr  Sr0  1  0.750  0.750  0.750  1.0
  Sr  Sr1  1  0.250  0.250  0.250  1.0
  Sr  Sr2  1  0.250  0.620  0.880  1.0
  Sr  Sr3  1  0.880  0.250  0.620  1.0
  Sr  Sr4  1  0.620  0.880  0.250  1.0
  Sr  Sr5  1  0.750  0.380  0.120  1.0
  Sr  Sr6  1  0.120  0.750  0.380  1.0
  Sr  Sr7  1  0.380  0.120  0.750  1.0
  Pd  Pd8  1  0.500  0.500  0.500  1.0
  Pd  Pd9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.072  0.285  0.942  1.0
  O  O11  1  0.942  0.072  0.285  1.0
  O  O12  1  0.285  0.942  0.072  1.0
  O  O13  1  0.428  0.558  0.215  1.0
  O  O14  1  0.215  0.428  0.558  1.0
  O  O15  1  0.558  0.215  0.428  1.0
  O  O16  1  0.928  0.715  0.058  1.0
  O  O17  1  0.058  0.928  0.715  1.0
  O  O18  1  0.715  0.058  0.928  1.0
  O  O19  1  0.572  0.442  0.785  1.0
  O  O20  1  0.442  0.785  0.572  1.0
  O  O21  1  0.785  0.572  0.442  1.0
[/CIF]
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The material structure described by Sr4PdO6 crystallizes in the trigonal R-3c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Pd(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded to one Sr(1), four equivalent Sr(2), and one Pd(1) atom to form a mixture of distorted edge, face, and corner-sharing OSr5Pd octahedra. The corner-sharing octahedral tilt angles range from 0-63°. is represented by the CIF card [CIF]
data_Sr4PdO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.885
_cell_length_b   6.885
_cell_length_c   6.885
_cell_angle_alpha   89.983
_cell_angle_beta   89.983
_cell_angle_gamma   89.983
_symmetry_Int_Tables_number   1
_cell_volume   326.399
_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
  Sr  Sr0  1  0.750  0.750  0.750  1.0
  Sr  Sr1  1  0.250  0.250  0.250  1.0
  Sr  Sr2  1  0.250  0.620  0.880  1.0
  Sr  Sr3  1  0.880  0.250  0.620  1.0
  Sr  Sr4  1  0.620  0.880  0.250  1.0
  Sr  Sr5  1  0.750  0.380  0.120  1.0
  Sr  Sr6  1  0.120  0.750  0.380  1.0
  Sr  Sr7  1  0.380  0.120  0.750  1.0
  Pd  Pd8  1  0.500  0.500  0.500  1.0
  Pd  Pd9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.072  0.285  0.942  1.0
  O  O11  1  0.942  0.072  0.285  1.0
  O  O12  1  0.285  0.942  0.072  1.0
  O  O13  1  0.428  0.558  0.215  1.0
  O  O14  1  0.215  0.428  0.558  1.0
  O  O15  1  0.558  0.215  0.428  1.0
  O  O16  1  0.928  0.715  0.058  1.0
  O  O17  1  0.058  0.928  0.715  1.0
  O  O18  1  0.715  0.058  0.928  1.0
  O  O19  1  0.572  0.442  0.785  1.0
  O  O20  1  0.442  0.785  0.572  1.0
  O  O21  1  0.785  0.572  0.442  1.0
[/CIF]
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