The material structure described by CoSI is half-Heusler structured and crystallizes in the cubic F-43m space group. Co(1) is bonded in a body-centered cubic geometry to four equivalent S(1) and four equivalent I(1) atoms. S(1) is bonded to four equivalent Co(1) atoms to form SCo4 tetrahedra that share corners with four equivalent I(1)Co4 tetrahedra, corners with twelve equivalent S(1)Co4 tetrahedra, and edges with six equivalent I(1)Co4 tetrahedra. I(1) is bonded to four equivalent Co(1) atoms to form ICo4 tetrahedra that share corners with four equivalent S(1)Co4 tetrahedra, corners with twelve equivalent I(1)Co4 tetrahedra, and edges with six equivalent S(1)Co4 tetrahedra. is represented by the CIF file [CIF]
data_CoSI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.446
_cell_length_b   4.446
_cell_length_c   4.446
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   62.150
_cell_formula_units_Z   1
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
  Co  Co0  1  0.000  0.000  0.000  1.0
  S  S1  1  0.750  0.750  0.750  1.0
  I  I2  1  0.250  0.250  0.250  1.0
[/CIF]
.
The material structure described by CoSI is half-Heusler structured and crystallizes in the cubic F-43m space group. Co(1) is bonded in a body-centered cubic geometry to four equivalent S(1) and four equivalent I(1) atoms. S(1) is bonded to four equivalent Co(1) atoms to form SCo4 tetrahedra that share corners with four equivalent I(1)Co4 tetrahedra, corners with twelve equivalent S(1)Co4 tetrahedra, and edges with six equivalent I(1)Co4 tetrahedra. I(1) is bonded to four equivalent Co(1) atoms to form ICo4 tetrahedra that share corners with four equivalent S(1)Co4 tetrahedra, corners with twelve equivalent I(1)Co4 tetrahedra, and edges with six equivalent S(1)Co4 tetrahedra. is represented by the CIF file [CIF]
data_CoSI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.446
_cell_length_b   4.446
_cell_length_c   4.446
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   62.150
_cell_formula_units_Z   1
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
  Co  Co0  1  0.000  0.000  0.000  1.0
  S  S1  1  0.750  0.750  0.750  1.0
  I  I2  1  0.250  0.250  0.250  1.0
[/CIF]
.