The crystal structure described by Y(CoS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Y(1) is bonded to four equivalent S(1) atoms to form YS4 tetrahedra that share corners with twelve equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-64°. Co(1) is bonded to six equivalent S(1) atoms to form distorted CoS6 octahedra that share corners with six equivalent Y(1)S4 tetrahedra and edges with six equivalent Co(1)S6 octahedra. S(1) is bonded to one Y(1) and three equivalent Co(1) atoms to form a mixture of edge and corner-sharing SYCo3 tetrahedra. is represented by the CIF card [CIF]
data_Y(CoS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.214
_cell_length_b   7.214
_cell_length_c   7.214
_cell_angle_alpha   121.218
_cell_angle_beta   121.218
_cell_angle_gamma   87.903
_symmetry_Int_Tables_number   1
_cell_volume   260.380
_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
  Y  Y0  1  0.500  0.500  0.000  1.0
  Y  Y1  1  0.250  0.750  0.500  1.0
  Co  Co2  1  0.375  0.125  0.250  1.0
  Co  Co3  1  0.875  0.125  0.250  1.0
  Co  Co4  1  0.875  0.625  0.750  1.0
  Co  Co5  1  0.875  0.125  0.750  1.0
  S  S6  1  0.691  0.900  0.791  1.0
  S  S7  1  0.100  0.890  0.791  1.0
  S  S8  1  0.100  0.309  0.209  1.0
  S  S9  1  0.059  0.349  0.709  1.0
  S  S10  1  0.640  0.349  0.291  1.0
  S  S11  1  0.650  0.360  0.709  1.0
  S  S12  1  0.110  0.900  0.209  1.0
  S  S13  1  0.650  0.941  0.291  1.0
[/CIF]
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The crystal structure described by Y(CoS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Y(1) is bonded to four equivalent S(1) atoms to form YS4 tetrahedra that share corners with twelve equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-64°. Co(1) is bonded to six equivalent S(1) atoms to form distorted CoS6 octahedra that share corners with six equivalent Y(1)S4 tetrahedra and edges with six equivalent Co(1)S6 octahedra. S(1) is bonded to one Y(1) and three equivalent Co(1) atoms to form a mixture of edge and corner-sharing SYCo3 tetrahedra. is represented by the CIF card [CIF]
data_Y(CoS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.214
_cell_length_b   7.214
_cell_length_c   7.214
_cell_angle_alpha   121.218
_cell_angle_beta   121.218
_cell_angle_gamma   87.903
_symmetry_Int_Tables_number   1
_cell_volume   260.380
_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
  Y  Y0  1  0.500  0.500  0.000  1.0
  Y  Y1  1  0.250  0.750  0.500  1.0
  Co  Co2  1  0.375  0.125  0.250  1.0
  Co  Co3  1  0.875  0.125  0.250  1.0
  Co  Co4  1  0.875  0.625  0.750  1.0
  Co  Co5  1  0.875  0.125  0.750  1.0
  S  S6  1  0.691  0.900  0.791  1.0
  S  S7  1  0.100  0.890  0.791  1.0
  S  S8  1  0.100  0.309  0.209  1.0
  S  S9  1  0.059  0.349  0.709  1.0
  S  S10  1  0.640  0.349  0.291  1.0
  S  S11  1  0.650  0.360  0.709  1.0
  S  S12  1  0.110  0.900  0.209  1.0
  S  S13  1  0.650  0.941  0.291  1.0
[/CIF]
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