The crystal structure described by Na(CrS2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. Na(1) is bonded to four equivalent S(1) atoms to form NaS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 62°. Cr(1) is bonded to six equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Na(1)S4 tetrahedra and edges with six equivalent Cr(1)S6 octahedra. S(1) is bonded to one Na(1) and three equivalent Cr(1) atoms to form a mixture of edge and corner-sharing SNaCr3 tetrahedra. is represented by the CIF card [CIF]
data_Na(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.349
_cell_length_b   7.349
_cell_length_c   7.349
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   280.671
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Na  Na1  1  0.250  0.250  0.250  1.0
  Cr  Cr2  1  0.625  0.625  0.625  1.0
  Cr  Cr3  1  0.125  0.625  0.625  1.0
  Cr  Cr4  1  0.625  0.125  0.625  1.0
  Cr  Cr5  1  0.625  0.625  0.125  1.0
  S  S6  1  0.856  0.856  0.856  1.0
  S  S7  1  0.817  0.394  0.394  1.0
  S  S8  1  0.394  0.394  0.817  1.0
  S  S9  1  0.394  0.817  0.394  1.0
  S  S10  1  0.856  0.856  0.433  1.0
  S  S11  1  0.856  0.433  0.856  1.0
  S  S12  1  0.394  0.394  0.394  1.0
  S  S13  1  0.433  0.856  0.856  1.0
[/CIF]
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The crystal structure described by Na(CrS2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. Na(1) is bonded to four equivalent S(1) atoms to form NaS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 62°. Cr(1) is bonded to six equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Na(1)S4 tetrahedra and edges with six equivalent Cr(1)S6 octahedra. S(1) is bonded to one Na(1) and three equivalent Cr(1) atoms to form a mixture of edge and corner-sharing SNaCr3 tetrahedra. is represented by the CIF card [CIF]
data_Na(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.349
_cell_length_b   7.349
_cell_length_c   7.349
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   280.671
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Na  Na1  1  0.250  0.250  0.250  1.0
  Cr  Cr2  1  0.625  0.625  0.625  1.0
  Cr  Cr3  1  0.125  0.625  0.625  1.0
  Cr  Cr4  1  0.625  0.125  0.625  1.0
  Cr  Cr5  1  0.625  0.625  0.125  1.0
  S  S6  1  0.856  0.856  0.856  1.0
  S  S7  1  0.817  0.394  0.394  1.0
  S  S8  1  0.394  0.394  0.817  1.0
  S  S9  1  0.394  0.817  0.394  1.0
  S  S10  1  0.856  0.856  0.433  1.0
  S  S11  1  0.856  0.433  0.856  1.0
  S  S12  1  0.394  0.394  0.394  1.0
  S  S13  1  0.433  0.856  0.856  1.0
[/CIF]
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