The structure described by Ca4Sb2S crystallizes in the tetragonal I-42d space group. Ca(1) is bonded in a 6-coordinate geometry to four equivalent Sb(1) and two equivalent S(1) atoms. Sb(1) is bonded in a 8-coordinate geometry to eight equivalent Ca(1) atoms. S(1) is bonded in a 8-coordinate geometry to eight equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_Ca4Sb2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.051
_cell_length_b   8.051
_cell_length_c   8.051
_cell_angle_alpha   110.550
_cell_angle_beta   110.550
_cell_angle_gamma   107.336
_symmetry_Int_Tables_number   1
_cell_volume   401.363
_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
  Ca  Ca0  1  0.614  0.876  0.878  1.0
  Ca  Ca1  1  0.265  0.386  0.262  1.0
  Ca  Ca2  1  0.124  0.003  0.738  1.0
  Ca  Ca3  1  0.485  0.247  0.622  1.0
  Ca  Ca4  1  0.136  0.515  0.762  1.0
  Ca  Ca5  1  0.753  0.374  0.238  1.0
  Ca  Ca6  1  0.997  0.735  0.122  1.0
  Ca  Ca7  1  0.626  0.864  0.378  1.0
  Sb  Sb8  1  0.375  0.997  0.122  1.0
  Sb  Sb9  1  0.003  0.125  0.378  1.0
  Sb  Sb10  1  0.875  0.253  0.878  1.0
  Sb  Sb11  1  0.747  0.625  0.622  1.0
  S  S12  1  0.500  0.500  0.000  1.0
  S  S13  1  0.250  0.750  0.500  1.0
[/CIF]
.
The structure described by Ca4Sb2S crystallizes in the tetragonal I-42d space group. Ca(1) is bonded in a 6-coordinate geometry to four equivalent Sb(1) and two equivalent S(1) atoms. Sb(1) is bonded in a 8-coordinate geometry to eight equivalent Ca(1) atoms. S(1) is bonded in a 8-coordinate geometry to eight equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_Ca4Sb2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.051
_cell_length_b   8.051
_cell_length_c   8.051
_cell_angle_alpha   110.550
_cell_angle_beta   110.550
_cell_angle_gamma   107.336
_symmetry_Int_Tables_number   1
_cell_volume   401.363
_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
  Ca  Ca0  1  0.614  0.876  0.878  1.0
  Ca  Ca1  1  0.265  0.386  0.262  1.0
  Ca  Ca2  1  0.124  0.003  0.738  1.0
  Ca  Ca3  1  0.485  0.247  0.622  1.0
  Ca  Ca4  1  0.136  0.515  0.762  1.0
  Ca  Ca5  1  0.753  0.374  0.238  1.0
  Ca  Ca6  1  0.997  0.735  0.122  1.0
  Ca  Ca7  1  0.626  0.864  0.378  1.0
  Sb  Sb8  1  0.375  0.997  0.122  1.0
  Sb  Sb9  1  0.003  0.125  0.378  1.0
  Sb  Sb10  1  0.875  0.253  0.878  1.0
  Sb  Sb11  1  0.747  0.625  0.622  1.0
  S  S12  1  0.500  0.500  0.000  1.0
  S  S13  1  0.250  0.750  0.500  1.0
[/CIF]
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