The material described by NpNd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Np(1) is bonded to twelve equivalent Nd(1) atoms to form NpNd12 cuboctahedra that share corners with six equivalent Np(1)Nd12 cuboctahedra, corners with twelve equivalent Nd(1)Nd8Np4 cuboctahedra, edges with eighteen equivalent Nd(1)Nd8Np4 cuboctahedra, faces with eight equivalent Np(1)Nd12 cuboctahedra, and faces with twelve equivalent Nd(1)Nd8Np4 cuboctahedra. Nd(1) is bonded to four equivalent Np(1) and eight equivalent Nd(1) atoms to form NdNd8Np4 cuboctahedra that share corners with four equivalent Np(1)Nd12 cuboctahedra, corners with fourteen equivalent Nd(1)Nd8Np4 cuboctahedra, edges with six equivalent Np(1)Nd12 cuboctahedra, edges with twelve equivalent Nd(1)Nd8Np4 cuboctahedra, faces with four equivalent Np(1)Nd12 cuboctahedra, and faces with sixteen equivalent Nd(1)Nd8Np4 cuboctahedra. is represented by the CIF file [CIF]
data_Nd3Np
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.348
_cell_length_b   7.348
_cell_length_c   5.950
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   278.211
_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
  Nd  Nd0  1  0.831  0.169  0.750  1.0
  Nd  Nd1  1  0.339  0.169  0.750  1.0
  Nd  Nd2  1  0.831  0.661  0.750  1.0
  Nd  Nd3  1  0.169  0.831  0.250  1.0
  Nd  Nd4  1  0.661  0.831  0.250  1.0
  Nd  Nd5  1  0.169  0.339  0.250  1.0
  Np  Np6  1  0.667  0.333  0.250  1.0
  Np  Np7  1  0.333  0.667  0.750  1.0
[/CIF]
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The material described by NpNd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Np(1) is bonded to twelve equivalent Nd(1) atoms to form NpNd12 cuboctahedra that share corners with six equivalent Np(1)Nd12 cuboctahedra, corners with twelve equivalent Nd(1)Nd8Np4 cuboctahedra, edges with eighteen equivalent Nd(1)Nd8Np4 cuboctahedra, faces with eight equivalent Np(1)Nd12 cuboctahedra, and faces with twelve equivalent Nd(1)Nd8Np4 cuboctahedra. Nd(1) is bonded to four equivalent Np(1) and eight equivalent Nd(1) atoms to form NdNd8Np4 cuboctahedra that share corners with four equivalent Np(1)Nd12 cuboctahedra, corners with fourteen equivalent Nd(1)Nd8Np4 cuboctahedra, edges with six equivalent Np(1)Nd12 cuboctahedra, edges with twelve equivalent Nd(1)Nd8Np4 cuboctahedra, faces with four equivalent Np(1)Nd12 cuboctahedra, and faces with sixteen equivalent Nd(1)Nd8Np4 cuboctahedra. is represented by the CIF file [CIF]
data_Nd3Np
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.348
_cell_length_b   7.348
_cell_length_c   5.950
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   278.211
_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
  Nd  Nd0  1  0.831  0.169  0.750  1.0
  Nd  Nd1  1  0.339  0.169  0.750  1.0
  Nd  Nd2  1  0.831  0.661  0.750  1.0
  Nd  Nd3  1  0.169  0.831  0.250  1.0
  Nd  Nd4  1  0.661  0.831  0.250  1.0
  Nd  Nd5  1  0.169  0.339  0.250  1.0
  Np  Np6  1  0.667  0.333  0.250  1.0
  Np  Np7  1  0.333  0.667  0.750  1.0
[/CIF]
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