The material described by Np2SO2 crystallizes in the trigonal P-3m1 space group. Np(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent O(1) atoms. S(1) is bonded to six equivalent Np(1) atoms to form SNp6 octahedra that share corners with twelve equivalent O(1)Np4 tetrahedra, edges with six equivalent S(1)Np6 octahedra, and edges with six equivalent O(1)Np4 tetrahedra. O(1) is bonded to four equivalent Np(1) atoms to form ONp4 tetrahedra that share corners with six equivalent S(1)Np6 octahedra, corners with six equivalent O(1)Np4 tetrahedra, edges with three equivalent S(1)Np6 octahedra, and edges with three equivalent O(1)Np4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-51°. is represented by the CIF card [CIF]
data_Np2SO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.989
_cell_length_b   3.989
_cell_length_c   6.662
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   91.808
_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  0.333  0.667  0.278  1.0
  Np  Np1  1  0.667  0.333  0.722  1.0
  S  S2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.333  0.667  0.627  1.0
  O  O4  1  0.667  0.333  0.373  1.0
[/CIF]
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The material described by Np2SO2 crystallizes in the trigonal P-3m1 space group. Np(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent O(1) atoms. S(1) is bonded to six equivalent Np(1) atoms to form SNp6 octahedra that share corners with twelve equivalent O(1)Np4 tetrahedra, edges with six equivalent S(1)Np6 octahedra, and edges with six equivalent O(1)Np4 tetrahedra. O(1) is bonded to four equivalent Np(1) atoms to form ONp4 tetrahedra that share corners with six equivalent S(1)Np6 octahedra, corners with six equivalent O(1)Np4 tetrahedra, edges with three equivalent S(1)Np6 octahedra, and edges with three equivalent O(1)Np4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-51°. is represented by the CIF card [CIF]
data_Np2SO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.989
_cell_length_b   3.989
_cell_length_c   6.662
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   91.808
_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  0.333  0.667  0.278  1.0
  Np  Np1  1  0.667  0.333  0.722  1.0
  S  S2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.333  0.667  0.627  1.0
  O  O4  1  0.667  0.333  0.373  1.0
[/CIF]
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