The compound described by RbNpCuS3 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 8-coordinate geometry to 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 Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra and edges with four equivalent Np(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Rb(1), two equivalent Np(1), and one Cu(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Np(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_RbNpCuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.566
_cell_length_b   7.566
_cell_length_c   10.266
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.256
_symmetry_Int_Tables_number   1
_cell_volume   300.431
_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
  Rb  Rb0  1  0.742  0.258  0.250  1.0
  Rb  Rb1  1  0.258  0.742  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
  Cu  Cu4  1  0.465  0.535  0.250  1.0
  Cu  Cu5  1  0.535  0.465  0.750  1.0
  S  S6  1  0.382  0.618  0.441  1.0
  S  S7  1  0.055  0.945  0.250  1.0
  S  S8  1  0.382  0.618  0.059  1.0
  S  S9  1  0.618  0.382  0.941  1.0
  S  S10  1  0.945  0.055  0.750  1.0
  S  S11  1  0.618  0.382  0.559  1.0
[/CIF]
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The compound described by RbNpCuS3 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 8-coordinate geometry to 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 Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra and edges with four equivalent Np(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Rb(1), two equivalent Np(1), and one Cu(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Np(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_RbNpCuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.566
_cell_length_b   7.566
_cell_length_c   10.266
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.256
_symmetry_Int_Tables_number   1
_cell_volume   300.431
_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
  Rb  Rb0  1  0.742  0.258  0.250  1.0
  Rb  Rb1  1  0.258  0.742  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
  Cu  Cu4  1  0.465  0.535  0.250  1.0
  Cu  Cu5  1  0.535  0.465  0.750  1.0
  S  S6  1  0.382  0.618  0.441  1.0
  S  S7  1  0.055  0.945  0.250  1.0
  S  S8  1  0.382  0.618  0.059  1.0
  S  S9  1  0.618  0.382  0.941  1.0
  S  S10  1  0.945  0.055  0.750  1.0
  S  S11  1  0.618  0.382  0.559  1.0
[/CIF]
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