The crystal structure described by KNd(SnO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent O(1) atoms to form KO12 cuboctahedra that share corners with twelve equivalent K(1)O12 cuboctahedra, faces with six equivalent Nd(1)O12 cuboctahedra, and faces with eight equivalent Sn(1)O6 octahedra. Nd(1) is bonded to twelve equivalent O(1) atoms to form NdO12 cuboctahedra that share corners with twelve equivalent Nd(1)O12 cuboctahedra, faces with six equivalent K(1)O12 cuboctahedra, and faces with eight equivalent Sn(1)O6 octahedra. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra, faces with four equivalent K(1)O12 cuboctahedra, and faces with four equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to two equivalent K(1), two equivalent Nd(1), and two equivalent Sn(1) atoms to form a mixture of distorted edge, face, and corner-sharing OK2Nd2Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_KNd(SnO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.779
_cell_length_b   5.779
_cell_length_c   5.779
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   136.453
_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
  K  K0  1  0.500  0.500  0.500  1.0
  Nd  Nd1  1  0.000  0.000  0.000  1.0
  Sn  Sn2  1  0.250  0.250  0.250  1.0
  Sn  Sn3  1  0.750  0.750  0.750  1.0
  O  O4  1  0.000  0.000  0.500  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.500  0.000  0.500  1.0
[/CIF]
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The crystal structure described by KNd(SnO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent O(1) atoms to form KO12 cuboctahedra that share corners with twelve equivalent K(1)O12 cuboctahedra, faces with six equivalent Nd(1)O12 cuboctahedra, and faces with eight equivalent Sn(1)O6 octahedra. Nd(1) is bonded to twelve equivalent O(1) atoms to form NdO12 cuboctahedra that share corners with twelve equivalent Nd(1)O12 cuboctahedra, faces with six equivalent K(1)O12 cuboctahedra, and faces with eight equivalent Sn(1)O6 octahedra. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra, faces with four equivalent K(1)O12 cuboctahedra, and faces with four equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to two equivalent K(1), two equivalent Nd(1), and two equivalent Sn(1) atoms to form a mixture of distorted edge, face, and corner-sharing OK2Nd2Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_KNd(SnO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.779
_cell_length_b   5.779
_cell_length_c   5.779
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   136.453
_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
  K  K0  1  0.500  0.500  0.500  1.0
  Nd  Nd1  1  0.000  0.000  0.000  1.0
  Sn  Sn2  1  0.250  0.250  0.250  1.0
  Sn  Sn3  1  0.750  0.750  0.750  1.0
  O  O4  1  0.000  0.000  0.500  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.500  0.000  0.500  1.0
[/CIF]
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