The material described by KGdPdO3 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. Gd(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 Gd(1), and one Pd(1) atom to form distorted OK2Gd3Pd octahedra that share corners with five equivalent O(2)K3Gd2Pd octahedra, edges with four equivalent O(1)K2Gd3Pd octahedra, and edges with four equivalent O(2)K3Gd2Pd 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 Gd(1), and one Pd(1) atom to form distorted OK3Gd2Pd octahedra that share corners with five equivalent O(1)K2Gd3Pd octahedra, edges with four equivalent O(1)K2Gd3Pd octahedra, and edges with four equivalent O(2)K3Gd2Pd 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 Gd(1), and two equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_KGdPdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.873
_cell_length_b   6.873
_cell_length_c   7.550
_cell_angle_alpha   76.261
_cell_angle_beta   76.261
_cell_angle_gamma   33.307
_symmetry_Int_Tables_number   1
_cell_volume   189.749
_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  0.645  0.645  0.435  1.0
  K  K1  1  0.355  0.355  0.565  1.0
  Gd  Gd2  1  0.650  0.650  0.924  1.0
  Gd  Gd3  1  0.350  0.350  0.076  1.0
  Pd  Pd4  1  0.992  0.992  0.777  1.0
  Pd  Pd5  1  0.008  0.008  0.223  1.0
  O  O6  1  0.828  0.828  0.871  1.0
  O  O7  1  0.847  0.847  0.269  1.0
  O  O8  1  0.493  0.493  0.819  1.0
  O  O9  1  0.172  0.172  0.129  1.0
  O  O10  1  0.507  0.507  0.181  1.0
  O  O11  1  0.153  0.153  0.731  1.0
[/CIF]
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The material described by KGdPdO3 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. Gd(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 Gd(1), and one Pd(1) atom to form distorted OK2Gd3Pd octahedra that share corners with five equivalent O(2)K3Gd2Pd octahedra, edges with four equivalent O(1)K2Gd3Pd octahedra, and edges with four equivalent O(2)K3Gd2Pd 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 Gd(1), and one Pd(1) atom to form distorted OK3Gd2Pd octahedra that share corners with five equivalent O(1)K2Gd3Pd octahedra, edges with four equivalent O(1)K2Gd3Pd octahedra, and edges with four equivalent O(2)K3Gd2Pd 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 Gd(1), and two equivalent Pd(1) atoms. is represented by the CIF card [CIF]
data_KGdPdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.873
_cell_length_b   6.873
_cell_length_c   7.550
_cell_angle_alpha   76.261
_cell_angle_beta   76.261
_cell_angle_gamma   33.307
_symmetry_Int_Tables_number   1
_cell_volume   189.749
_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  0.645  0.645  0.435  1.0
  K  K1  1  0.355  0.355  0.565  1.0
  Gd  Gd2  1  0.650  0.650  0.924  1.0
  Gd  Gd3  1  0.350  0.350  0.076  1.0
  Pd  Pd4  1  0.992  0.992  0.777  1.0
  Pd  Pd5  1  0.008  0.008  0.223  1.0
  O  O6  1  0.828  0.828  0.871  1.0
  O  O7  1  0.847  0.847  0.269  1.0
  O  O8  1  0.493  0.493  0.819  1.0
  O  O9  1  0.172  0.172  0.129  1.0
  O  O10  1  0.507  0.507  0.181  1.0
  O  O11  1  0.153  0.153  0.731  1.0
[/CIF]
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