The structure described by Np2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing NpS7 pentagonal bipyramids. In the second Np site, Np(2) is bonded in a 8-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Np(1) and three equivalent Np(2) atoms to form a mixture of distorted edge and corner-sharing SNp5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Np(2) and three equivalent Np(1) atoms to form a mixture of edge and corner-sharing SNp5 square pyramids. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Np(1) and three equivalent Np(2) atoms. is represented by the CIF card [CIF]
data_Np2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.992
_cell_length_b   10.610
_cell_length_c   10.876
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   460.660
_cell_formula_units_Z   4
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  0.250  0.313  0.993  1.0
  Np  Np1  1  0.750  0.687  0.007  1.0
  Np  Np2  1  0.750  0.813  0.507  1.0
  Np  Np3  1  0.250  0.187  0.493  1.0
  Np  Np4  1  0.250  0.505  0.309  1.0
  Np  Np5  1  0.750  0.495  0.691  1.0
  Np  Np6  1  0.750  0.005  0.191  1.0
  Np  Np7  1  0.250  0.995  0.809  1.0
  S  S8  1  0.250  0.873  0.048  1.0
  S  S9  1  0.750  0.127  0.952  1.0
  S  S10  1  0.750  0.373  0.452  1.0
  S  S11  1  0.250  0.627  0.548  1.0
  S  S12  1  0.250  0.554  0.879  1.0
  S  S13  1  0.750  0.446  0.121  1.0
  S  S14  1  0.750  0.054  0.621  1.0
  S  S15  1  0.250  0.946  0.379  1.0
  S  S16  1  0.250  0.200  0.229  1.0
  S  S17  1  0.750  0.800  0.771  1.0
  S  S18  1  0.750  0.700  0.271  1.0
  S  S19  1  0.250  0.300  0.729  1.0
[/CIF]
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The structure described by Np2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing NpS7 pentagonal bipyramids. In the second Np site, Np(2) is bonded in a 8-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Np(1) and three equivalent Np(2) atoms to form a mixture of distorted edge and corner-sharing SNp5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Np(2) and three equivalent Np(1) atoms to form a mixture of edge and corner-sharing SNp5 square pyramids. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Np(1) and three equivalent Np(2) atoms. is represented by the CIF card [CIF]
data_Np2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.992
_cell_length_b   10.610
_cell_length_c   10.876
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   460.660
_cell_formula_units_Z   4
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  0.250  0.313  0.993  1.0
  Np  Np1  1  0.750  0.687  0.007  1.0
  Np  Np2  1  0.750  0.813  0.507  1.0
  Np  Np3  1  0.250  0.187  0.493  1.0
  Np  Np4  1  0.250  0.505  0.309  1.0
  Np  Np5  1  0.750  0.495  0.691  1.0
  Np  Np6  1  0.750  0.005  0.191  1.0
  Np  Np7  1  0.250  0.995  0.809  1.0
  S  S8  1  0.250  0.873  0.048  1.0
  S  S9  1  0.750  0.127  0.952  1.0
  S  S10  1  0.750  0.373  0.452  1.0
  S  S11  1  0.250  0.627  0.548  1.0
  S  S12  1  0.250  0.554  0.879  1.0
  S  S13  1  0.750  0.446  0.121  1.0
  S  S14  1  0.750  0.054  0.621  1.0
  S  S15  1  0.250  0.946  0.379  1.0
  S  S16  1  0.250  0.200  0.229  1.0
  S  S17  1  0.750  0.800  0.771  1.0
  S  S18  1  0.750  0.700  0.271  1.0
  S  S19  1  0.250  0.300  0.729  1.0
[/CIF]
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