The material structure described by KNpAgS3 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 10-coordinate geometry to two equivalent Ag(1), two equivalent S(2), and six equivalent S(1) atoms. Np(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form NpS6 octahedra that share corners with two equivalent Np(1)S6 octahedra, edges with two equivalent Np(1)S6 octahedra, and edges with four equivalent Ag(1)K2S4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. Ag(1) is bonded to two equivalent K(1), two equivalent S(1), and two equivalent S(2) atoms to form distorted AgK2S4 tetrahedra that share corners with two equivalent S(2)K2Np2Ag2 octahedra,  an edgeedge with one S(2)K2Np2Ag2 octahedra, edges with four equivalent Np(1)S6 octahedra, and edges with two equivalent Ag(1)K2S4 tetrahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent K(1), two equivalent Np(1), and one Ag(1) atom. In the second S site, S(2) is bonded to two equivalent K(1), two equivalent Np(1), and two equivalent Ag(1) atoms to form distorted SK2Np2Ag2 octahedra that share corners with two equivalent S(2)K2Np2Ag2 octahedra, corners with two equivalent Ag(1)K2S4 tetrahedra, edges with two equivalent S(2)K2Np2Ag2 octahedra, and  an edgeedge with one Ag(1)K2S4 tetrahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_KNpAgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.359
_cell_length_b   7.359
_cell_length_c   10.417
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.677
_symmetry_Int_Tables_number   1
_cell_volume   301.643
_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
  K  K0  1  0.739  0.261  0.250  1.0
  K  K1  1  0.261  0.739  0.750  1.0
  Np  Np2  1  0.000  0.000  0.500  1.0
  Np  Np3  1  0.000  0.000  0.000  1.0
  Ag  Ag4  1  0.453  0.547  0.250  1.0
  Ag  Ag5  1  0.547  0.453  0.750  1.0
  S  S6  1  0.376  0.624  0.463  1.0
  S  S7  1  0.062  0.938  0.250  1.0
  S  S8  1  0.376  0.624  0.037  1.0
  S  S9  1  0.624  0.376  0.963  1.0
  S  S10  1  0.938  0.062  0.750  1.0
  S  S11  1  0.624  0.376  0.537  1.0
[/CIF]
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The material structure described by KNpAgS3 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 10-coordinate geometry to two equivalent Ag(1), two equivalent S(2), and six equivalent S(1) atoms. Np(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form NpS6 octahedra that share corners with two equivalent Np(1)S6 octahedra, edges with two equivalent Np(1)S6 octahedra, and edges with four equivalent Ag(1)K2S4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. Ag(1) is bonded to two equivalent K(1), two equivalent S(1), and two equivalent S(2) atoms to form distorted AgK2S4 tetrahedra that share corners with two equivalent S(2)K2Np2Ag2 octahedra,  an edgeedge with one S(2)K2Np2Ag2 octahedra, edges with four equivalent Np(1)S6 octahedra, and edges with two equivalent Ag(1)K2S4 tetrahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent K(1), two equivalent Np(1), and one Ag(1) atom. In the second S site, S(2) is bonded to two equivalent K(1), two equivalent Np(1), and two equivalent Ag(1) atoms to form distorted SK2Np2Ag2 octahedra that share corners with two equivalent S(2)K2Np2Ag2 octahedra, corners with two equivalent Ag(1)K2S4 tetrahedra, edges with two equivalent S(2)K2Np2Ag2 octahedra, and  an edgeedge with one Ag(1)K2S4 tetrahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_KNpAgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.359
_cell_length_b   7.359
_cell_length_c   10.417
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.677
_symmetry_Int_Tables_number   1
_cell_volume   301.643
_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
  K  K0  1  0.739  0.261  0.250  1.0
  K  K1  1  0.261  0.739  0.750  1.0
  Np  Np2  1  0.000  0.000  0.500  1.0
  Np  Np3  1  0.000  0.000  0.000  1.0
  Ag  Ag4  1  0.453  0.547  0.250  1.0
  Ag  Ag5  1  0.547  0.453  0.750  1.0
  S  S6  1  0.376  0.624  0.463  1.0
  S  S7  1  0.062  0.938  0.250  1.0
  S  S8  1  0.376  0.624  0.037  1.0
  S  S9  1  0.624  0.376  0.963  1.0
  S  S10  1  0.938  0.062  0.750  1.0
  S  S11  1  0.624  0.376  0.537  1.0
[/CIF]
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