The material structure described by Np2Se5 crystallizes in the orthorhombic Pbcn space group. Np(1) is bonded in a 10-coordinate geometry to two equivalent Se(3), four equivalent Se(1), and four equivalent Se(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to four equivalent Np(1), one Se(1), and one Se(2) atom. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to four equivalent Np(1), one Se(1), and one Se(2) atom. In the third Se site, Se(3) is bonded to four equivalent Np(1) atoms to form distorted corner-sharing SeNp4 trigonal pyramids. is represented by the CIF file [CIF]
data_Np2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   5.468
_cell_length_c   10.729
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.121
_symmetry_Int_Tables_number   1
_cell_volume   320.838
_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
  Np  Np0  1  0.750  0.750  0.849  1.0
  Np  Np1  1  0.250  0.250  0.651  1.0
  Np  Np2  1  0.250  0.250  0.151  1.0
  Np  Np3  1  0.750  0.750  0.349  1.0
  Se  Se4  1  0.250  0.506  0.397  1.0
  Se  Se5  1  0.494  0.750  0.103  1.0
  Se  Se6  1  0.006  0.750  0.103  1.0
  Se  Se7  1  0.250  0.994  0.397  1.0
  Se  Se8  1  0.750  0.494  0.603  1.0
  Se  Se9  1  0.506  0.250  0.897  1.0
  Se  Se10  1  0.994  0.250  0.897  1.0
  Se  Se11  1  0.750  0.006  0.603  1.0
  Se  Se12  1  0.750  0.250  0.250  1.0
  Se  Se13  1  0.250  0.750  0.750  1.0
[/CIF]
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The material structure described by Np2Se5 crystallizes in the orthorhombic Pbcn space group. Np(1) is bonded in a 10-coordinate geometry to two equivalent Se(3), four equivalent Se(1), and four equivalent Se(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to four equivalent Np(1), one Se(1), and one Se(2) atom. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to four equivalent Np(1), one Se(1), and one Se(2) atom. In the third Se site, Se(3) is bonded to four equivalent Np(1) atoms to form distorted corner-sharing SeNp4 trigonal pyramids. is represented by the CIF file [CIF]
data_Np2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   5.468
_cell_length_c   10.729
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.121
_symmetry_Int_Tables_number   1
_cell_volume   320.838
_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
  Np  Np0  1  0.750  0.750  0.849  1.0
  Np  Np1  1  0.250  0.250  0.651  1.0
  Np  Np2  1  0.250  0.250  0.151  1.0
  Np  Np3  1  0.750  0.750  0.349  1.0
  Se  Se4  1  0.250  0.506  0.397  1.0
  Se  Se5  1  0.494  0.750  0.103  1.0
  Se  Se6  1  0.006  0.750  0.103  1.0
  Se  Se7  1  0.250  0.994  0.397  1.0
  Se  Se8  1  0.750  0.494  0.603  1.0
  Se  Se9  1  0.506  0.250  0.897  1.0
  Se  Se10  1  0.994  0.250  0.897  1.0
  Se  Se11  1  0.750  0.006  0.603  1.0
  Se  Se12  1  0.750  0.250  0.250  1.0
  Se  Se13  1  0.250  0.750  0.750  1.0
[/CIF]
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