The crystal structure described by Np2N3 is Spinel-derived structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to six equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing NpN6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second Np site, Np(2) is bonded to six equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing NpN6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. N(1) is bonded to one Np(1) and three equivalent Np(2) atoms to form a mixture of corner and edge-sharing NNp4 tetrahedra. is represented by the CIF card [CIF]
data_Np2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.254
_cell_length_b   9.254
_cell_length_c   9.254
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   610.039
_cell_formula_units_Z   8
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  0.500  0.000  0.500  1.0
  Np  Np1  1  0.500  0.500  0.000  1.0
  Np  Np2  1  0.000  0.500  0.500  1.0
  Np  Np3  1  0.000  0.000  0.000  1.0
  Np  Np4  1  0.777  0.250  0.027  1.0
  Np  Np5  1  0.723  0.750  0.473  1.0
  Np  Np6  1  0.250  0.027  0.777  1.0
  Np  Np7  1  0.750  0.473  0.723  1.0
  Np  Np8  1  0.027  0.777  0.250  1.0
  Np  Np9  1  0.473  0.723  0.750  1.0
  Np  Np10  1  0.223  0.750  0.973  1.0
  Np  Np11  1  0.277  0.250  0.527  1.0
  Np  Np12  1  0.750  0.973  0.223  1.0
  Np  Np13  1  0.250  0.527  0.277  1.0
  Np  Np14  1  0.973  0.223  0.750  1.0
  Np  Np15  1  0.527  0.277  0.250  1.0
  N  N16  1  0.500  0.232  0.468  1.0
  N  N17  1  0.236  0.268  0.769  1.0
  N  N18  1  1.000  0.467  0.731  1.0
  N  N19  1  0.264  0.033  0.032  1.0
  N  N20  1  0.232  0.468  0.500  1.0
  N  N21  1  0.268  0.769  0.236  1.0
  N  N22  1  0.467  0.731  1.000  1.0
  N  N23  1  0.033  0.032  0.264  1.0
  N  N24  1  0.468  0.500  0.232  1.0
  N  N25  1  0.769  0.236  0.268  1.0
  N  N26  1  0.731  1.000  0.467  1.0
  N  N27  1  0.032  0.264  0.033  1.0
  N  N28  1  0.500  0.768  0.532  1.0
  N  N29  1  0.764  0.732  0.231  1.0
  N  N30  1  0.000  0.533  0.269  1.0
  N  N31  1  0.736  0.967  0.968  1.0
  N  N32  1  0.768  0.532  0.500  1.0
  N  N33  1  0.732  0.231  0.764  1.0
  N  N34  1  0.533  0.269  0.000  1.0
  N  N35  1  0.967  0.968  0.736  1.0
  N  N36  1  0.532  0.500  0.768  1.0
  N  N37  1  0.231  0.764  0.732  1.0
  N  N38  1  0.269  0.000  0.533  1.0
  N  N39  1  0.968  0.736  0.967  1.0
[/CIF]
.
The crystal structure described by Np2N3 is Spinel-derived structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to six equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing NpN6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second Np site, Np(2) is bonded to six equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing NpN6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. N(1) is bonded to one Np(1) and three equivalent Np(2) atoms to form a mixture of corner and edge-sharing NNp4 tetrahedra. is represented by the CIF card [CIF]
data_Np2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.254
_cell_length_b   9.254
_cell_length_c   9.254
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   610.039
_cell_formula_units_Z   8
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  0.500  0.000  0.500  1.0
  Np  Np1  1  0.500  0.500  0.000  1.0
  Np  Np2  1  0.000  0.500  0.500  1.0
  Np  Np3  1  0.000  0.000  0.000  1.0
  Np  Np4  1  0.777  0.250  0.027  1.0
  Np  Np5  1  0.723  0.750  0.473  1.0
  Np  Np6  1  0.250  0.027  0.777  1.0
  Np  Np7  1  0.750  0.473  0.723  1.0
  Np  Np8  1  0.027  0.777  0.250  1.0
  Np  Np9  1  0.473  0.723  0.750  1.0
  Np  Np10  1  0.223  0.750  0.973  1.0
  Np  Np11  1  0.277  0.250  0.527  1.0
  Np  Np12  1  0.750  0.973  0.223  1.0
  Np  Np13  1  0.250  0.527  0.277  1.0
  Np  Np14  1  0.973  0.223  0.750  1.0
  Np  Np15  1  0.527  0.277  0.250  1.0
  N  N16  1  0.500  0.232  0.468  1.0
  N  N17  1  0.236  0.268  0.769  1.0
  N  N18  1  1.000  0.467  0.731  1.0
  N  N19  1  0.264  0.033  0.032  1.0
  N  N20  1  0.232  0.468  0.500  1.0
  N  N21  1  0.268  0.769  0.236  1.0
  N  N22  1  0.467  0.731  1.000  1.0
  N  N23  1  0.033  0.032  0.264  1.0
  N  N24  1  0.468  0.500  0.232  1.0
  N  N25  1  0.769  0.236  0.268  1.0
  N  N26  1  0.731  1.000  0.467  1.0
  N  N27  1  0.032  0.264  0.033  1.0
  N  N28  1  0.500  0.768  0.532  1.0
  N  N29  1  0.764  0.732  0.231  1.0
  N  N30  1  0.000  0.533  0.269  1.0
  N  N31  1  0.736  0.967  0.968  1.0
  N  N32  1  0.768  0.532  0.500  1.0
  N  N33  1  0.732  0.231  0.764  1.0
  N  N34  1  0.533  0.269  0.000  1.0
  N  N35  1  0.967  0.968  0.736  1.0
  N  N36  1  0.532  0.500  0.768  1.0
  N  N37  1  0.231  0.764  0.732  1.0
  N  N38  1  0.269  0.000  0.533  1.0
  N  N39  1  0.968  0.736  0.967  1.0
[/CIF]
.