The crystal structure described by K(NpSe3)2 crystallizes in the orthorhombic Immm space group. K(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Se(2) atoms. Np(1) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Np(1), and two equivalent Se(2) atoms. In the second Se site, Se(1) is bonded to four equivalent Np(1) atoms to form a mixture of edge and corner-sharing SeNp4 trigonal pyramids. is represented by the CIF card [CIF]
data_K(NpSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.424
_cell_length_b   11.424
_cell_length_c   11.424
_cell_angle_alpha   159.233
_cell_angle_beta   152.066
_cell_angle_gamma   35.063
_symmetry_Int_Tables_number   1
_cell_volume   247.348
_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
  K  K0  1  0.000  0.000  0.000  1.0
  Np  Np1  1  0.681  0.181  0.500  1.0
  Np  Np2  1  0.319  0.819  0.500  1.0
  Se  Se3  1  0.774  0.774  0.000  1.0
  Se  Se4  1  0.226  0.226  0.000  1.0
  Se  Se5  1  0.846  0.606  0.240  1.0
  Se  Se6  1  0.154  0.394  0.760  1.0
  Se  Se7  1  0.634  0.394  0.240  1.0
  Se  Se8  1  0.366  0.606  0.760  1.0
[/CIF]
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The crystal structure described by K(NpSe3)2 crystallizes in the orthorhombic Immm space group. K(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Se(2) atoms. Np(1) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Np(1), and two equivalent Se(2) atoms. In the second Se site, Se(1) is bonded to four equivalent Np(1) atoms to form a mixture of edge and corner-sharing SeNp4 trigonal pyramids. is represented by the CIF card [CIF]
data_K(NpSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.424
_cell_length_b   11.424
_cell_length_c   11.424
_cell_angle_alpha   159.233
_cell_angle_beta   152.066
_cell_angle_gamma   35.063
_symmetry_Int_Tables_number   1
_cell_volume   247.348
_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
  K  K0  1  0.000  0.000  0.000  1.0
  Np  Np1  1  0.681  0.181  0.500  1.0
  Np  Np2  1  0.319  0.819  0.500  1.0
  Se  Se3  1  0.774  0.774  0.000  1.0
  Se  Se4  1  0.226  0.226  0.000  1.0
  Se  Se5  1  0.846  0.606  0.240  1.0
  Se  Se6  1  0.154  0.394  0.760  1.0
  Se  Se7  1  0.634  0.394  0.240  1.0
  Se  Se8  1  0.366  0.606  0.760  1.0
[/CIF]
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