The material structure described by Al(CoS2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. Co(1) is bonded to six equivalent S(1) atoms to form CoS6 octahedra that share corners with six equivalent Al(1)S4 tetrahedra and edges with six equivalent Co(1)S6 octahedra. Al(1) is bonded to four equivalent S(1) atoms to form AlS4 tetrahedra that share corners with twelve equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles are 59°. S(1) is bonded to three equivalent Co(1) and one Al(1) atom to form a mixture of distorted corner and edge-sharing SAlCo3 trigonal pyramids. is represented by the CIF card [CIF]
data_Al(CoS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.807
_cell_length_b   6.807
_cell_length_c   6.807
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   223.065
_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
  Al  Al0  1  0.250  0.250  0.250  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.125  0.625  0.625  1.0
  Co  Co3  1  0.625  0.625  0.125  1.0
  Co  Co4  1  0.625  0.625  0.625  1.0
  Co  Co5  1  0.625  0.125  0.625  1.0
  S  S6  1  0.415  0.862  0.862  1.0
  S  S7  1  0.862  0.862  0.415  1.0
  S  S8  1  0.862  0.862  0.862  1.0
  S  S9  1  0.835  0.388  0.388  1.0
  S  S10  1  0.388  0.835  0.388  1.0
  S  S11  1  0.388  0.388  0.835  1.0
  S  S12  1  0.862  0.415  0.862  1.0
  S  S13  1  0.388  0.388  0.388  1.0
[/CIF]
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The material structure described by Al(CoS2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. Co(1) is bonded to six equivalent S(1) atoms to form CoS6 octahedra that share corners with six equivalent Al(1)S4 tetrahedra and edges with six equivalent Co(1)S6 octahedra. Al(1) is bonded to four equivalent S(1) atoms to form AlS4 tetrahedra that share corners with twelve equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles are 59°. S(1) is bonded to three equivalent Co(1) and one Al(1) atom to form a mixture of distorted corner and edge-sharing SAlCo3 trigonal pyramids. is represented by the CIF card [CIF]
data_Al(CoS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.807
_cell_length_b   6.807
_cell_length_c   6.807
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   223.065
_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
  Al  Al0  1  0.250  0.250  0.250  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.125  0.625  0.625  1.0
  Co  Co3  1  0.625  0.625  0.125  1.0
  Co  Co4  1  0.625  0.625  0.625  1.0
  Co  Co5  1  0.625  0.125  0.625  1.0
  S  S6  1  0.415  0.862  0.862  1.0
  S  S7  1  0.862  0.862  0.415  1.0
  S  S8  1  0.862  0.862  0.862  1.0
  S  S9  1  0.835  0.388  0.388  1.0
  S  S10  1  0.388  0.835  0.388  1.0
  S  S11  1  0.388  0.388  0.835  1.0
  S  S12  1  0.862  0.415  0.862  1.0
  S  S13  1  0.388  0.388  0.388  1.0
[/CIF]
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