The structure described by Np3P 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(2) and four equivalent P(1) atoms to form distorted NpNp4P4 cuboctahedra that share corners with eight equivalent Np(1)Np4P4 cuboctahedra, corners with eight equivalent Np(2)Np8P4 cuboctahedra, corners with eight equivalent P(1)Np12 cuboctahedra, edges with four equivalent Np(2)Np8P4 cuboctahedra, edges with four equivalent P(1)Np12 cuboctahedra, edges with twelve equivalent Np(1)Np4P4 cuboctahedra, and faces with six equivalent Np(1)Np4P4 cuboctahedra. In the second Np site, Np(2) is bonded to eight equivalent Np(1) and four equivalent P(1) atoms to form distorted NpNp8P4 cuboctahedra that share corners with four equivalent Np(2)Np8P4 cuboctahedra, corners with eight equivalent P(1)Np12 cuboctahedra, corners with sixteen equivalent Np(1)Np4P4 cuboctahedra, edges with eight equivalent Np(1)Np4P4 cuboctahedra, edges with eight equivalent Np(2)Np8P4 cuboctahedra, faces with four equivalent Np(2)Np8P4 cuboctahedra, and faces with six equivalent P(1)Np12 cuboctahedra. P(1) is bonded to four equivalent Np(2) and eight equivalent Np(1) atoms to form PNp12 cuboctahedra that share corners with four equivalent P(1)Np12 cuboctahedra, corners with eight equivalent Np(2)Np8P4 cuboctahedra, corners with sixteen equivalent Np(1)Np4P4 cuboctahedra, edges with eight equivalent Np(1)Np4P4 cuboctahedra, edges with eight equivalent P(1)Np12 cuboctahedra, faces with four equivalent P(1)Np12 cuboctahedra, and faces with six equivalent Np(2)Np8P4 cuboctahedra. is represented by the CIF file [CIF]
data_Np3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.031
_cell_length_b   5.031
_cell_length_c   5.031
_cell_angle_alpha   130.736
_cell_angle_beta   130.736
_cell_angle_gamma   72.232
_symmetry_Int_Tables_number   1
_cell_volume   71.477
_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
  P  P3  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Np3P 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(2) and four equivalent P(1) atoms to form distorted NpNp4P4 cuboctahedra that share corners with eight equivalent Np(1)Np4P4 cuboctahedra, corners with eight equivalent Np(2)Np8P4 cuboctahedra, corners with eight equivalent P(1)Np12 cuboctahedra, edges with four equivalent Np(2)Np8P4 cuboctahedra, edges with four equivalent P(1)Np12 cuboctahedra, edges with twelve equivalent Np(1)Np4P4 cuboctahedra, and faces with six equivalent Np(1)Np4P4 cuboctahedra. In the second Np site, Np(2) is bonded to eight equivalent Np(1) and four equivalent P(1) atoms to form distorted NpNp8P4 cuboctahedra that share corners with four equivalent Np(2)Np8P4 cuboctahedra, corners with eight equivalent P(1)Np12 cuboctahedra, corners with sixteen equivalent Np(1)Np4P4 cuboctahedra, edges with eight equivalent Np(1)Np4P4 cuboctahedra, edges with eight equivalent Np(2)Np8P4 cuboctahedra, faces with four equivalent Np(2)Np8P4 cuboctahedra, and faces with six equivalent P(1)Np12 cuboctahedra. P(1) is bonded to four equivalent Np(2) and eight equivalent Np(1) atoms to form PNp12 cuboctahedra that share corners with four equivalent P(1)Np12 cuboctahedra, corners with eight equivalent Np(2)Np8P4 cuboctahedra, corners with sixteen equivalent Np(1)Np4P4 cuboctahedra, edges with eight equivalent Np(1)Np4P4 cuboctahedra, edges with eight equivalent P(1)Np12 cuboctahedra, faces with four equivalent P(1)Np12 cuboctahedra, and faces with six equivalent Np(2)Np8P4 cuboctahedra. is represented by the CIF file [CIF]
data_Np3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.031
_cell_length_b   5.031
_cell_length_c   5.031
_cell_angle_alpha   130.736
_cell_angle_beta   130.736
_cell_angle_gamma   72.232
_symmetry_Int_Tables_number   1
_cell_volume   71.477
_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
  P  P3  1  0.000  0.000  0.000  1.0
[/CIF]
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