The material described by KSmPdO3 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. Sm(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) 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 two equivalent K(1), three equivalent Sm(1), and one Pd(1) atom to form distorted OK2Sm3Pd octahedra that share corners with five equivalent O(2)K3Sm2Pd octahedra, edges with four equivalent O(1)K2Sm3Pd octahedra, and edges with four equivalent O(2)K3Sm2Pd octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second O site, O(2) is bonded to three equivalent K(1), two equivalent Sm(1), and one Pd(1) atom to form distorted OK3Sm2Pd octahedra that share corners with five equivalent O(1)K2Sm3Pd octahedra, edges with four equivalent O(1)K2Sm3Pd octahedra, and edges with four equivalent O(2)K3Sm2Pd octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Sm(1), and two equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_KSmPdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.949
_cell_length_b   6.910
_cell_length_c   7.535
_cell_angle_alpha   104.075
_cell_angle_beta   90.000
_cell_angle_gamma   106.602
_symmetry_Int_Tables_number   1
_cell_volume   190.593
_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  0.356  0.712  0.435  1.0
  K  K1  1  0.644  0.288  0.565  1.0
  Sm  Sm2  1  0.350  0.701  0.923  1.0
  Sm  Sm3  1  0.650  0.299  0.077  1.0
  Pd  Pd4  1  0.007  0.014  0.773  1.0
  Pd  Pd5  1  0.993  0.986  0.227  1.0
  O  O6  1  0.830  0.659  0.131  1.0
  O  O7  1  0.847  0.694  0.726  1.0
  O  O8  1  0.170  0.341  0.869  1.0
  O  O9  1  0.494  0.987  0.185  1.0
  O  O10  1  0.506  0.013  0.815  1.0
  O  O11  1  0.153  0.306  0.274  1.0
[/CIF]
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The material described by KSmPdO3 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. Sm(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) 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 two equivalent K(1), three equivalent Sm(1), and one Pd(1) atom to form distorted OK2Sm3Pd octahedra that share corners with five equivalent O(2)K3Sm2Pd octahedra, edges with four equivalent O(1)K2Sm3Pd octahedra, and edges with four equivalent O(2)K3Sm2Pd octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second O site, O(2) is bonded to three equivalent K(1), two equivalent Sm(1), and one Pd(1) atom to form distorted OK3Sm2Pd octahedra that share corners with five equivalent O(1)K2Sm3Pd octahedra, edges with four equivalent O(1)K2Sm3Pd octahedra, and edges with four equivalent O(2)K3Sm2Pd octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Sm(1), and two equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_KSmPdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.949
_cell_length_b   6.910
_cell_length_c   7.535
_cell_angle_alpha   104.075
_cell_angle_beta   90.000
_cell_angle_gamma   106.602
_symmetry_Int_Tables_number   1
_cell_volume   190.593
_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  0.356  0.712  0.435  1.0
  K  K1  1  0.644  0.288  0.565  1.0
  Sm  Sm2  1  0.350  0.701  0.923  1.0
  Sm  Sm3  1  0.650  0.299  0.077  1.0
  Pd  Pd4  1  0.007  0.014  0.773  1.0
  Pd  Pd5  1  0.993  0.986  0.227  1.0
  O  O6  1  0.830  0.659  0.131  1.0
  O  O7  1  0.847  0.694  0.726  1.0
  O  O8  1  0.170  0.341  0.869  1.0
  O  O9  1  0.494  0.987  0.185  1.0
  O  O10  1  0.506  0.013  0.815  1.0
  O  O11  1  0.153  0.306  0.274  1.0
[/CIF]
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