The material structure described by KCd4P3 crystallizes in the trigonal R-3m space group. K(1) is bonded to six equivalent P(1) atoms to form distorted KP6 cuboctahedra that share corners with six equivalent Cd(2)P4 tetrahedra and edges with six equivalent K(1)P6 cuboctahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted trigonal planar geometry to three equivalent P(1) atoms. In the second Cd site, Cd(2) is bonded to one P(1) and three equivalent P(2) atoms to form CdP4 tetrahedra that share corners with three equivalent K(1)P6 cuboctahedra, corners with nine equivalent Cd(2)P4 tetrahedra, and edges with three equivalent Cd(2)P4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to three equivalent K(1), one Cd(2), and three equivalent Cd(1) atoms. In the second P site, P(2) is bonded in a 6-coordinate geometry to six equivalent Cd(2) atoms. is represented by the CIF card [CIF]
data_KCd4P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.193
_cell_length_b   12.193
_cell_length_c   12.193
_cell_angle_alpha   20.640
_cell_angle_beta   20.640
_cell_angle_gamma   20.640
_symmetry_Int_Tables_number   1
_cell_volume   197.160
_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
  Cd  Cd1  1  0.909  0.909  0.909  1.0
  Cd  Cd2  1  0.091  0.091  0.091  1.0
  Cd  Cd3  1  0.698  0.698  0.698  1.0
  Cd  Cd4  1  0.302  0.302  0.302  1.0
  P  P5  1  0.771  0.771  0.771  1.0
  P  P6  1  0.229  0.229  0.229  1.0
  P  P7  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by KCd4P3 crystallizes in the trigonal R-3m space group. K(1) is bonded to six equivalent P(1) atoms to form distorted KP6 cuboctahedra that share corners with six equivalent Cd(2)P4 tetrahedra and edges with six equivalent K(1)P6 cuboctahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted trigonal planar geometry to three equivalent P(1) atoms. In the second Cd site, Cd(2) is bonded to one P(1) and three equivalent P(2) atoms to form CdP4 tetrahedra that share corners with three equivalent K(1)P6 cuboctahedra, corners with nine equivalent Cd(2)P4 tetrahedra, and edges with three equivalent Cd(2)P4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to three equivalent K(1), one Cd(2), and three equivalent Cd(1) atoms. In the second P site, P(2) is bonded in a 6-coordinate geometry to six equivalent Cd(2) atoms. is represented by the CIF card [CIF]
data_KCd4P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.193
_cell_length_b   12.193
_cell_length_c   12.193
_cell_angle_alpha   20.640
_cell_angle_beta   20.640
_cell_angle_gamma   20.640
_symmetry_Int_Tables_number   1
_cell_volume   197.160
_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
  Cd  Cd1  1  0.909  0.909  0.909  1.0
  Cd  Cd2  1  0.091  0.091  0.091  1.0
  Cd  Cd3  1  0.698  0.698  0.698  1.0
  Cd  Cd4  1  0.302  0.302  0.302  1.0
  P  P5  1  0.771  0.771  0.771  1.0
  P  P6  1  0.229  0.229  0.229  1.0
  P  P7  1  0.000  0.000  0.000  1.0
[/CIF]
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