The crystal structure described by NpSe3 crystallizes in the tetragonal I4/mmm space group. Np(1) is bonded to four equivalent Se(2) and eight equivalent Se(1) atoms to form a mixture of edge, corner, and face-sharing NpSe12 cuboctahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 8-coordinate geometry to four equivalent Np(1) and four equivalent Se(1) atoms. In the second Se site, Se(2) is bonded in a square co-planar geometry to four equivalent Np(1) atoms. is represented by the CIF file [CIF]
data_NpSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.719
_cell_length_b   5.719
_cell_length_c   5.719
_cell_angle_alpha   137.830
_cell_angle_beta   137.830
_cell_angle_gamma   61.164
_symmetry_Int_Tables_number   1
_cell_volume   83.344
_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  0.000  0.000  0.000  1.0
  Se  Se1  1  0.750  0.250  0.500  1.0
  Se  Se2  1  0.250  0.750  0.500  1.0
  Se  Se3  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by NpSe3 crystallizes in the tetragonal I4/mmm space group. Np(1) is bonded to four equivalent Se(2) and eight equivalent Se(1) atoms to form a mixture of edge, corner, and face-sharing NpSe12 cuboctahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 8-coordinate geometry to four equivalent Np(1) and four equivalent Se(1) atoms. In the second Se site, Se(2) is bonded in a square co-planar geometry to four equivalent Np(1) atoms. is represented by the CIF file [CIF]
data_NpSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.719
_cell_length_b   5.719
_cell_length_c   5.719
_cell_angle_alpha   137.830
_cell_angle_beta   137.830
_cell_angle_gamma   61.164
_symmetry_Int_Tables_number   1
_cell_volume   83.344
_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  0.000  0.000  0.000  1.0
  Se  Se1  1  0.750  0.250  0.500  1.0
  Se  Se2  1  0.250  0.750  0.500  1.0
  Se  Se3  1  0.500  0.500  0.000  1.0
[/CIF]
.