The material structure described by KNd3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent Nd(2) and eight equivalent Nd(1) atoms to form KNd12 cuboctahedra that share corners with four equivalent K(1)Nd12 cuboctahedra, corners with eight equivalent Nd(2)K4Nd8 cuboctahedra, edges with eight equivalent K(1)Nd12 cuboctahedra, edges with sixteen equivalent Nd(1)K4Nd8 cuboctahedra, faces with four equivalent K(1)Nd12 cuboctahedra, faces with six equivalent Nd(2)K4Nd8 cuboctahedra, and faces with eight equivalent Nd(1)K4Nd8 cuboctahedra. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent K(1), four equivalent Nd(1), and four equivalent Nd(2) atoms to form NdK4Nd8 cuboctahedra that share corners with twelve equivalent Nd(1)K4Nd8 cuboctahedra, edges with eight equivalent K(1)Nd12 cuboctahedra, edges with eight equivalent Nd(1)K4Nd8 cuboctahedra, edges with eight equivalent Nd(2)K4Nd8 cuboctahedra, faces with four equivalent K(1)Nd12 cuboctahedra, faces with four equivalent Nd(2)K4Nd8 cuboctahedra, and faces with ten equivalent Nd(1)K4Nd8 cuboctahedra. In the second Nd site, Nd(2) is bonded to four equivalent K(1) and eight equivalent Nd(1) atoms to form distorted NdK4Nd8 cuboctahedra that share corners with four equivalent Nd(2)K4Nd8 cuboctahedra, corners with eight equivalent K(1)Nd12 cuboctahedra, edges with eight equivalent Nd(2)K4Nd8 cuboctahedra, edges with sixteen equivalent Nd(1)K4Nd8 cuboctahedra, faces with four equivalent Nd(2)K4Nd8 cuboctahedra, faces with six equivalent K(1)Nd12 cuboctahedra, and faces with eight equivalent Nd(1)K4Nd8 cuboctahedra. is represented by the CIF file [CIF]
data_KNd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.676
_cell_length_b   6.676
_cell_length_c   6.676
_cell_angle_alpha   132.926
_cell_angle_beta   132.926
_cell_angle_gamma   68.770
_symmetry_Int_Tables_number   1
_cell_volume   156.655
_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  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.750  0.250  0.500  1.0
  Nd  Nd2  1  0.250  0.750  0.500  1.0
  Nd  Nd3  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material structure described by KNd3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent Nd(2) and eight equivalent Nd(1) atoms to form KNd12 cuboctahedra that share corners with four equivalent K(1)Nd12 cuboctahedra, corners with eight equivalent Nd(2)K4Nd8 cuboctahedra, edges with eight equivalent K(1)Nd12 cuboctahedra, edges with sixteen equivalent Nd(1)K4Nd8 cuboctahedra, faces with four equivalent K(1)Nd12 cuboctahedra, faces with six equivalent Nd(2)K4Nd8 cuboctahedra, and faces with eight equivalent Nd(1)K4Nd8 cuboctahedra. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent K(1), four equivalent Nd(1), and four equivalent Nd(2) atoms to form NdK4Nd8 cuboctahedra that share corners with twelve equivalent Nd(1)K4Nd8 cuboctahedra, edges with eight equivalent K(1)Nd12 cuboctahedra, edges with eight equivalent Nd(1)K4Nd8 cuboctahedra, edges with eight equivalent Nd(2)K4Nd8 cuboctahedra, faces with four equivalent K(1)Nd12 cuboctahedra, faces with four equivalent Nd(2)K4Nd8 cuboctahedra, and faces with ten equivalent Nd(1)K4Nd8 cuboctahedra. In the second Nd site, Nd(2) is bonded to four equivalent K(1) and eight equivalent Nd(1) atoms to form distorted NdK4Nd8 cuboctahedra that share corners with four equivalent Nd(2)K4Nd8 cuboctahedra, corners with eight equivalent K(1)Nd12 cuboctahedra, edges with eight equivalent Nd(2)K4Nd8 cuboctahedra, edges with sixteen equivalent Nd(1)K4Nd8 cuboctahedra, faces with four equivalent Nd(2)K4Nd8 cuboctahedra, faces with six equivalent K(1)Nd12 cuboctahedra, and faces with eight equivalent Nd(1)K4Nd8 cuboctahedra. is represented by the CIF file [CIF]
data_KNd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.676
_cell_length_b   6.676
_cell_length_c   6.676
_cell_angle_alpha   132.926
_cell_angle_beta   132.926
_cell_angle_gamma   68.770
_symmetry_Int_Tables_number   1
_cell_volume   156.655
_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  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.750  0.250  0.500  1.0
  Nd  Nd2  1  0.250  0.750  0.500  1.0
  Nd  Nd3  1  0.500  0.500  0.000  1.0
[/CIF]
.