The compound described by NpPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded in a distorted body-centered cubic geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Np site, Np(2) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Np(1), one Np(2), and one P(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Np(1), one Np(2), and one P(1) atom. is represented by the CIF file [CIF]
data_NpPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.296
_cell_length_b   12.296
_cell_length_c   12.296
_cell_angle_alpha   126.997
_cell_angle_beta   126.997
_cell_angle_gamma   78.256
_symmetry_Int_Tables_number   1
_cell_volume   1148.628
_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  0.750  0.750  0.000  1.0
  Np  Np1  1  0.250  0.250  0.000  1.0
  Np  Np2  1  0.000  0.500  0.500  1.0
  Np  Np3  1  0.500  0.000  0.500  1.0
  Np  Np4  1  0.500  0.500  0.000  1.0
  Np  Np5  1  0.000  0.000  0.000  1.0
  Np  Np6  1  0.750  0.250  0.500  1.0
  Np  Np7  1  0.250  0.750  0.500  1.0
  P  P8  1  0.662  0.375  0.787  1.0
  P  P9  1  0.162  0.375  0.287  1.0
  P  P10  1  0.625  0.412  0.287  1.0
  P  P11  1  0.125  0.838  0.213  1.0
  P  P12  1  0.088  0.875  0.713  1.0
  P  P13  1  0.588  0.875  0.213  1.0
  P  P14  1  0.625  0.912  0.787  1.0
  P  P15  1  0.125  0.338  0.713  1.0
  S  S16  1  0.211  0.031  0.313  1.0
  S  S17  1  0.711  0.398  0.181  1.0
  S  S18  1  0.281  0.961  0.813  1.0
  S  S19  1  0.781  0.968  0.319  1.0
  S  S20  1  0.539  0.219  0.187  1.0
  S  S21  1  0.039  0.852  0.319  1.0
  S  S22  1  0.469  0.289  0.687  1.0
  S  S23  1  0.969  0.282  0.181  1.0
  S  S24  1  0.218  0.531  0.819  1.0
  S  S25  1  0.718  0.898  0.687  1.0
  S  S26  1  0.648  0.461  0.681  1.0
  S  S27  1  0.148  0.468  0.187  1.0
  S  S28  1  0.532  0.719  0.681  1.0
  S  S29  1  0.032  0.352  0.813  1.0
  S  S30  1  0.102  0.789  0.819  1.0
  S  S31  1  0.602  0.782  0.313  1.0
  S  S32  1  0.962  0.738  0.956  1.0
  S  S33  1  0.462  0.507  0.224  1.0
  S  S34  1  0.988  0.712  0.456  1.0
  S  S35  1  0.488  0.033  0.276  1.0
  S  S36  1  0.788  0.512  0.544  1.0
  S  S37  1  0.288  0.743  0.276  1.0
  S  S38  1  0.762  0.538  0.044  1.0
  S  S39  1  0.262  0.217  0.224  1.0
  S  S40  1  0.283  0.238  0.776  1.0
  S  S41  1  0.783  0.007  0.044  1.0
  S  S42  1  0.757  0.212  0.724  1.0
  S  S43  1  0.257  0.533  0.544  1.0
  S  S44  1  0.467  0.012  0.724  1.0
  S  S45  1  0.967  0.243  0.456  1.0
  S  S46  1  0.993  0.038  0.776  1.0
  S  S47  1  0.493  0.717  0.956  1.0
[/CIF]
.
The compound described by NpPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded in a distorted body-centered cubic geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Np site, Np(2) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Np(1), one Np(2), and one P(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Np(1), one Np(2), and one P(1) atom. is represented by the CIF file [CIF]
data_NpPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.296
_cell_length_b   12.296
_cell_length_c   12.296
_cell_angle_alpha   126.997
_cell_angle_beta   126.997
_cell_angle_gamma   78.256
_symmetry_Int_Tables_number   1
_cell_volume   1148.628
_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  0.750  0.750  0.000  1.0
  Np  Np1  1  0.250  0.250  0.000  1.0
  Np  Np2  1  0.000  0.500  0.500  1.0
  Np  Np3  1  0.500  0.000  0.500  1.0
  Np  Np4  1  0.500  0.500  0.000  1.0
  Np  Np5  1  0.000  0.000  0.000  1.0
  Np  Np6  1  0.750  0.250  0.500  1.0
  Np  Np7  1  0.250  0.750  0.500  1.0
  P  P8  1  0.662  0.375  0.787  1.0
  P  P9  1  0.162  0.375  0.287  1.0
  P  P10  1  0.625  0.412  0.287  1.0
  P  P11  1  0.125  0.838  0.213  1.0
  P  P12  1  0.088  0.875  0.713  1.0
  P  P13  1  0.588  0.875  0.213  1.0
  P  P14  1  0.625  0.912  0.787  1.0
  P  P15  1  0.125  0.338  0.713  1.0
  S  S16  1  0.211  0.031  0.313  1.0
  S  S17  1  0.711  0.398  0.181  1.0
  S  S18  1  0.281  0.961  0.813  1.0
  S  S19  1  0.781  0.968  0.319  1.0
  S  S20  1  0.539  0.219  0.187  1.0
  S  S21  1  0.039  0.852  0.319  1.0
  S  S22  1  0.469  0.289  0.687  1.0
  S  S23  1  0.969  0.282  0.181  1.0
  S  S24  1  0.218  0.531  0.819  1.0
  S  S25  1  0.718  0.898  0.687  1.0
  S  S26  1  0.648  0.461  0.681  1.0
  S  S27  1  0.148  0.468  0.187  1.0
  S  S28  1  0.532  0.719  0.681  1.0
  S  S29  1  0.032  0.352  0.813  1.0
  S  S30  1  0.102  0.789  0.819  1.0
  S  S31  1  0.602  0.782  0.313  1.0
  S  S32  1  0.962  0.738  0.956  1.0
  S  S33  1  0.462  0.507  0.224  1.0
  S  S34  1  0.988  0.712  0.456  1.0
  S  S35  1  0.488  0.033  0.276  1.0
  S  S36  1  0.788  0.512  0.544  1.0
  S  S37  1  0.288  0.743  0.276  1.0
  S  S38  1  0.762  0.538  0.044  1.0
  S  S39  1  0.262  0.217  0.224  1.0
  S  S40  1  0.283  0.238  0.776  1.0
  S  S41  1  0.783  0.007  0.044  1.0
  S  S42  1  0.757  0.212  0.724  1.0
  S  S43  1  0.257  0.533  0.544  1.0
  S  S44  1  0.467  0.012  0.724  1.0
  S  S45  1  0.967  0.243  0.456  1.0
  S  S46  1  0.993  0.038  0.776  1.0
  S  S47  1  0.493  0.717  0.956  1.0
[/CIF]
.