The material described by Al(CoS2)2 crystallizes in the orthorhombic Imma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CoS6 octahedra that share edges with two equivalent Co(1)S6 octahedra, edges with four equivalent Co(2)S6 octahedra, and edges with four equivalent Al(1)S6 octahedra. In the second Co site, Co(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CoS6 octahedra that share corners with six equivalent Al(1)S6 octahedra, edges with two equivalent Co(2)S6 octahedra, edges with two equivalent Al(1)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. Al(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form AlS6 octahedra that share corners with six equivalent Co(2)S6 octahedra, edges with two equivalent Co(2)S6 octahedra, edges with two equivalent Al(1)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Co(2), two equivalent Co(1), and one Al(1) atom. In the second S site, S(2) is bonded to one Co(1), two equivalent Co(2), and two equivalent Al(1) atoms to form a mixture of edge and corner-sharing SAl2Co3 square pyramids. is represented by the CIF file [CIF]
data_Al(CoS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.756
_cell_length_b   6.756
_cell_length_c   6.756
_cell_angle_alpha   120.368
_cell_angle_beta   117.962
_cell_angle_gamma   91.465
_symmetry_Int_Tables_number   1
_cell_volume   220.626
_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  0.500  0.000  0.500  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.721  0.254  0.467  1.0
  S  S7  1  0.738  0.729  0.491  1.0
  S  S8  1  0.287  0.254  0.033  1.0
  S  S9  1  0.262  0.752  0.991  1.0
  S  S10  1  0.713  0.746  0.967  1.0
  S  S11  1  0.262  0.271  0.509  1.0
  S  S12  1  0.738  0.248  0.009  1.0
  S  S13  1  0.279  0.746  0.533  1.0
[/CIF]
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The material described by Al(CoS2)2 crystallizes in the orthorhombic Imma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CoS6 octahedra that share edges with two equivalent Co(1)S6 octahedra, edges with four equivalent Co(2)S6 octahedra, and edges with four equivalent Al(1)S6 octahedra. In the second Co site, Co(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CoS6 octahedra that share corners with six equivalent Al(1)S6 octahedra, edges with two equivalent Co(2)S6 octahedra, edges with two equivalent Al(1)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. Al(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form AlS6 octahedra that share corners with six equivalent Co(2)S6 octahedra, edges with two equivalent Co(2)S6 octahedra, edges with two equivalent Al(1)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Co(2), two equivalent Co(1), and one Al(1) atom. In the second S site, S(2) is bonded to one Co(1), two equivalent Co(2), and two equivalent Al(1) atoms to form a mixture of edge and corner-sharing SAl2Co3 square pyramids. is represented by the CIF file [CIF]
data_Al(CoS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.756
_cell_length_b   6.756
_cell_length_c   6.756
_cell_angle_alpha   120.368
_cell_angle_beta   117.962
_cell_angle_gamma   91.465
_symmetry_Int_Tables_number   1
_cell_volume   220.626
_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  0.500  0.000  0.500  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.721  0.254  0.467  1.0
  S  S7  1  0.738  0.729  0.491  1.0
  S  S8  1  0.287  0.254  0.033  1.0
  S  S9  1  0.262  0.752  0.991  1.0
  S  S10  1  0.713  0.746  0.967  1.0
  S  S11  1  0.262  0.271  0.509  1.0
  S  S12  1  0.738  0.248  0.009  1.0
  S  S13  1  0.279  0.746  0.533  1.0
[/CIF]
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