The material structure described by Np3Cd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to four equivalent Np(1), four equivalent Np(2), and four equivalent Cd(1) atoms to form NpNp8Cd4 cuboctahedra that share corners with twelve equivalent Np(1)Np8Cd4 cuboctahedra, edges with eight equivalent Np(1)Np8Cd4 cuboctahedra, edges with eight equivalent Np(2)Np8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Np12 cuboctahedra, faces with four equivalent Np(2)Np8Cd4 cuboctahedra, faces with four equivalent Cd(1)Np12 cuboctahedra, and faces with ten equivalent Np(1)Np8Cd4 cuboctahedra. In the second Np site, Np(2) is bonded to eight equivalent Np(1) and four equivalent Cd(1) atoms to form distorted NpNp8Cd4 cuboctahedra that share corners with four equivalent Np(2)Np8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Np12 cuboctahedra, edges with eight equivalent Np(2)Np8Cd4 cuboctahedra, edges with sixteen equivalent Np(1)Np8Cd4 cuboctahedra, faces with four equivalent Np(2)Np8Cd4 cuboctahedra, faces with six equivalent Cd(1)Np12 cuboctahedra, and faces with eight equivalent Np(1)Np8Cd4 cuboctahedra. Cd(1) is bonded to four equivalent Np(2) and eight equivalent Np(1) atoms to form CdNp12 cuboctahedra that share corners with four equivalent Cd(1)Np12 cuboctahedra, corners with eight equivalent Np(2)Np8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Np12 cuboctahedra, edges with sixteen equivalent Np(1)Np8Cd4 cuboctahedra, faces with four equivalent Cd(1)Np12 cuboctahedra, faces with six equivalent Np(2)Np8Cd4 cuboctahedra, and faces with eight equivalent Np(1)Np8Cd4 cuboctahedra. is represented by the CIF card [CIF]
data_Np3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.658
_cell_length_b   5.658
_cell_length_c   5.658
_cell_angle_alpha   132.529
_cell_angle_beta   132.529
_cell_angle_gamma   69.394
_symmetry_Int_Tables_number   1
_cell_volume   96.523
_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
  Np  Np0  1  0.750  0.250  0.500  1.0
  Np  Np1  1  0.250  0.750  0.500  1.0
  Np  Np2  1  0.500  0.500  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Np3Cd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to four equivalent Np(1), four equivalent Np(2), and four equivalent Cd(1) atoms to form NpNp8Cd4 cuboctahedra that share corners with twelve equivalent Np(1)Np8Cd4 cuboctahedra, edges with eight equivalent Np(1)Np8Cd4 cuboctahedra, edges with eight equivalent Np(2)Np8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Np12 cuboctahedra, faces with four equivalent Np(2)Np8Cd4 cuboctahedra, faces with four equivalent Cd(1)Np12 cuboctahedra, and faces with ten equivalent Np(1)Np8Cd4 cuboctahedra. In the second Np site, Np(2) is bonded to eight equivalent Np(1) and four equivalent Cd(1) atoms to form distorted NpNp8Cd4 cuboctahedra that share corners with four equivalent Np(2)Np8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Np12 cuboctahedra, edges with eight equivalent Np(2)Np8Cd4 cuboctahedra, edges with sixteen equivalent Np(1)Np8Cd4 cuboctahedra, faces with four equivalent Np(2)Np8Cd4 cuboctahedra, faces with six equivalent Cd(1)Np12 cuboctahedra, and faces with eight equivalent Np(1)Np8Cd4 cuboctahedra. Cd(1) is bonded to four equivalent Np(2) and eight equivalent Np(1) atoms to form CdNp12 cuboctahedra that share corners with four equivalent Cd(1)Np12 cuboctahedra, corners with eight equivalent Np(2)Np8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Np12 cuboctahedra, edges with sixteen equivalent Np(1)Np8Cd4 cuboctahedra, faces with four equivalent Cd(1)Np12 cuboctahedra, faces with six equivalent Np(2)Np8Cd4 cuboctahedra, and faces with eight equivalent Np(1)Np8Cd4 cuboctahedra. is represented by the CIF card [CIF]
data_Np3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.658
_cell_length_b   5.658
_cell_length_c   5.658
_cell_angle_alpha   132.529
_cell_angle_beta   132.529
_cell_angle_gamma   69.394
_symmetry_Int_Tables_number   1
_cell_volume   96.523
_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
  Np  Np0  1  0.750  0.250  0.500  1.0
  Np  Np1  1  0.250  0.750  0.500  1.0
  Np  Np2  1  0.500  0.500  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
[/CIF]
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