The structure described by Na(CrS2)2 is Spinel-like structured and crystallizes in the tetragonal I4_1/amd space group. Na(1) is bonded to four equivalent S(1) atoms to form distorted NaS4 trigonal pyramids that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-79°. Cr(1) is bonded to six equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Na(1)S4 trigonal pyramids 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 trigonal pyramids. is represented by the CIF card [CIF]
data_Na(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.067
_cell_length_b   7.067
_cell_length_c   7.067
_cell_angle_alpha   113.259
_cell_angle_beta   113.259
_cell_angle_gamma   102.135
_symmetry_Int_Tables_number   1
_cell_volume   268.453
_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  0.750  0.250  0.500  1.0
  Cr  Cr2  1  0.875  0.625  0.250  1.0
  Cr  Cr3  1  0.375  0.125  0.750  1.0
  Cr  Cr4  1  0.375  0.625  0.750  1.0
  Cr  Cr5  1  0.375  0.625  0.250  1.0
  S  S6  1  0.552  0.363  0.189  1.0
  S  S7  1  0.637  0.448  0.811  1.0
  S  S8  1  0.174  0.363  0.811  1.0
  S  S9  1  0.637  0.826  0.189  1.0
  S  S10  1  0.198  0.887  0.311  1.0
  S  S11  1  0.113  0.424  0.311  1.0
  S  S12  1  0.576  0.887  0.689  1.0
  S  S13  1  0.113  0.802  0.689  1.0
[/CIF]
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The structure described by Na(CrS2)2 is Spinel-like structured and crystallizes in the tetragonal I4_1/amd space group. Na(1) is bonded to four equivalent S(1) atoms to form distorted NaS4 trigonal pyramids that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-79°. Cr(1) is bonded to six equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Na(1)S4 trigonal pyramids 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 trigonal pyramids. is represented by the CIF card [CIF]
data_Na(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.067
_cell_length_b   7.067
_cell_length_c   7.067
_cell_angle_alpha   113.259
_cell_angle_beta   113.259
_cell_angle_gamma   102.135
_symmetry_Int_Tables_number   1
_cell_volume   268.453
_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  0.750  0.250  0.500  1.0
  Cr  Cr2  1  0.875  0.625  0.250  1.0
  Cr  Cr3  1  0.375  0.125  0.750  1.0
  Cr  Cr4  1  0.375  0.625  0.750  1.0
  Cr  Cr5  1  0.375  0.625  0.250  1.0
  S  S6  1  0.552  0.363  0.189  1.0
  S  S7  1  0.637  0.448  0.811  1.0
  S  S8  1  0.174  0.363  0.811  1.0
  S  S9  1  0.637  0.826  0.189  1.0
  S  S10  1  0.198  0.887  0.311  1.0
  S  S11  1  0.113  0.424  0.311  1.0
  S  S12  1  0.576  0.887  0.689  1.0
  S  S13  1  0.113  0.802  0.689  1.0
[/CIF]
.