The compound described by Ta3CoS6 is Corundum-derived structured and crystallizes in the hexagonal P6_322 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to six equivalent S(1) atoms to form distorted TaS6 pentagonal pyramids that share corners with six equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Co(1) is bonded to six equivalent S(1) atoms to form CoS6 octahedra that share corners with six equivalent Ta(1)S6 pentagonal pyramids. S(1) is bonded in a rectangular see-saw-like geometry to one Ta(1), two equivalent Ta(2), and one Co(1) atom. is represented by the CIF card [CIF]
data_Ta3CoS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.784
_cell_length_b   5.784
_cell_length_c   12.023
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   348.332
_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
  Ta  Ta0  1  0.000  0.000  1.000  1.0
  Ta  Ta1  1  0.000  1.000  0.500  1.0
  Ta  Ta2  1  0.333  0.667  0.501  1.0
  Ta  Ta3  1  0.667  0.333  0.001  1.0
  Ta  Ta4  1  0.667  0.333  0.499  1.0
  Ta  Ta5  1  0.333  0.667  0.999  1.0
  Co  Co6  1  0.333  0.667  0.250  1.0
  Co  Co7  1  0.667  0.333  0.750  1.0
  S  S8  1  0.332  1.000  0.129  1.0
  S  S9  1  0.000  0.333  0.129  1.0
  S  S10  1  0.668  0.000  0.629  1.0
  S  S11  1  1.000  0.332  0.871  1.0
  S  S12  1  0.667  0.668  0.129  1.0
  S  S13  1  1.000  0.667  0.629  1.0
  S  S14  1  0.333  0.000  0.871  1.0
  S  S15  1  0.000  0.668  0.371  1.0
  S  S16  1  0.333  0.332  0.629  1.0
  S  S17  1  0.667  1.000  0.371  1.0
  S  S18  1  0.668  0.667  0.871  1.0
  S  S19  1  0.332  0.333  0.371  1.0
[/CIF]
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The compound described by Ta3CoS6 is Corundum-derived structured and crystallizes in the hexagonal P6_322 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to six equivalent S(1) atoms to form distorted TaS6 pentagonal pyramids that share corners with six equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Co(1) is bonded to six equivalent S(1) atoms to form CoS6 octahedra that share corners with six equivalent Ta(1)S6 pentagonal pyramids. S(1) is bonded in a rectangular see-saw-like geometry to one Ta(1), two equivalent Ta(2), and one Co(1) atom. is represented by the CIF card [CIF]
data_Ta3CoS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.784
_cell_length_b   5.784
_cell_length_c   12.023
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   348.332
_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
  Ta  Ta0  1  0.000  0.000  1.000  1.0
  Ta  Ta1  1  0.000  1.000  0.500  1.0
  Ta  Ta2  1  0.333  0.667  0.501  1.0
  Ta  Ta3  1  0.667  0.333  0.001  1.0
  Ta  Ta4  1  0.667  0.333  0.499  1.0
  Ta  Ta5  1  0.333  0.667  0.999  1.0
  Co  Co6  1  0.333  0.667  0.250  1.0
  Co  Co7  1  0.667  0.333  0.750  1.0
  S  S8  1  0.332  1.000  0.129  1.0
  S  S9  1  0.000  0.333  0.129  1.0
  S  S10  1  0.668  0.000  0.629  1.0
  S  S11  1  1.000  0.332  0.871  1.0
  S  S12  1  0.667  0.668  0.129  1.0
  S  S13  1  1.000  0.667  0.629  1.0
  S  S14  1  0.333  0.000  0.871  1.0
  S  S15  1  0.000  0.668  0.371  1.0
  S  S16  1  0.333  0.332  0.629  1.0
  S  S17  1  0.667  1.000  0.371  1.0
  S  S18  1  0.668  0.667  0.871  1.0
  S  S19  1  0.332  0.333  0.371  1.0
[/CIF]
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