The material structure described by KLaPdO3 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. La(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. Pd(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent K(1), two equivalent La(1), and one Pd(1) atom to form distorted OK3La2Pd octahedra that share corners with five equivalent O(2)K2La3Pd octahedra, edges with four equivalent O(2)K2La3Pd octahedra, and edges with four equivalent O(1)K3La2Pd octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second O site, O(2) is bonded to two equivalent K(1), three equivalent La(1), and one Pd(1) atom to form distorted OK2La3Pd octahedra that share corners with five equivalent O(1)K3La2Pd octahedra, edges with four equivalent O(2)K2La3Pd octahedra, and edges with four equivalent O(1)K3La2Pd octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent La(1), and two equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_KLaPdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.057
_cell_length_b   7.057
_cell_length_c   7.623
_cell_angle_alpha   75.202
_cell_angle_beta   75.202
_cell_angle_gamma   33.006
_symmetry_Int_Tables_number   1
_cell_volume   199.347
_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  0.357  0.357  0.566  1.0
  K  K1  1  0.643  0.643  0.434  1.0
  La  La2  1  0.650  0.650  0.917  1.0
  La  La3  1  0.350  0.350  0.083  1.0
  Pd  Pd4  1  0.007  0.007  0.228  1.0
  Pd  Pd5  1  0.993  0.993  0.772  1.0
  O  O6  1  0.849  0.849  0.284  1.0
  O  O7  1  0.832  0.832  0.864  1.0
  O  O8  1  0.507  0.507  0.189  1.0
  O  O9  1  0.168  0.168  0.136  1.0
  O  O10  1  0.493  0.493  0.811  1.0
  O  O11  1  0.151  0.151  0.716  1.0
[/CIF]
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The material structure described by KLaPdO3 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. La(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. Pd(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent K(1), two equivalent La(1), and one Pd(1) atom to form distorted OK3La2Pd octahedra that share corners with five equivalent O(2)K2La3Pd octahedra, edges with four equivalent O(2)K2La3Pd octahedra, and edges with four equivalent O(1)K3La2Pd octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second O site, O(2) is bonded to two equivalent K(1), three equivalent La(1), and one Pd(1) atom to form distorted OK2La3Pd octahedra that share corners with five equivalent O(1)K3La2Pd octahedra, edges with four equivalent O(2)K2La3Pd octahedra, and edges with four equivalent O(1)K3La2Pd octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent La(1), and two equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_KLaPdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.057
_cell_length_b   7.057
_cell_length_c   7.623
_cell_angle_alpha   75.202
_cell_angle_beta   75.202
_cell_angle_gamma   33.006
_symmetry_Int_Tables_number   1
_cell_volume   199.347
_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  0.357  0.357  0.566  1.0
  K  K1  1  0.643  0.643  0.434  1.0
  La  La2  1  0.650  0.650  0.917  1.0
  La  La3  1  0.350  0.350  0.083  1.0
  Pd  Pd4  1  0.007  0.007  0.228  1.0
  Pd  Pd5  1  0.993  0.993  0.772  1.0
  O  O6  1  0.849  0.849  0.284  1.0
  O  O7  1  0.832  0.832  0.864  1.0
  O  O8  1  0.507  0.507  0.189  1.0
  O  O9  1  0.168  0.168  0.136  1.0
  O  O10  1  0.493  0.493  0.811  1.0
  O  O11  1  0.151  0.151  0.716  1.0
[/CIF]
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