The crystal structure described by Ta9(CoS3)2 crystallizes in the hexagonal P-62m space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent Co(1), one S(2), and two equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing TaCo2S3 trigonal bipyramids. In the second Ta site, Ta(2) is bonded in a 5-coordinate geometry to two equivalent Co(1), one S(3), and two equivalent S(1) atoms. In the third Ta site, Ta(3) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one S(3) atom. Co(1) is bonded in a 6-coordinate geometry to three equivalent Ta(1) and three equivalent Ta(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted pentagonal planar geometry to one Ta(3), two equivalent Ta(1), and two equivalent Ta(2) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ta(1) and two equivalent Ta(3) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent Ta(2) and two equivalent Ta(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta9(CoS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.314
_cell_length_b   10.314
_cell_length_c   6.585
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   606.681
_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  0.740  0.192  0.500  1.0
  Ta  Ta1  1  0.472  0.259  0.000  1.0
  Ta  Ta2  1  0.543  0.543  0.249  1.0
  Ta  Ta3  1  1.000  0.457  0.751  1.0
  Ta  Ta4  1  0.547  0.808  0.500  1.0
  Ta  Ta5  1  0.192  0.740  0.500  1.0
  Ta  Ta6  1  0.260  0.453  0.500  1.0
  Ta  Ta7  1  0.457  0.000  0.751  1.0
  Ta  Ta8  1  0.808  0.547  0.500  1.0
  Ta  Ta9  1  0.741  0.213  0.000  1.0
  Ta  Ta10  1  0.259  0.472  0.000  1.0
  Ta  Ta11  1  0.787  0.528  0.000  1.0
  Ta  Ta12  1  1.000  0.457  0.249  1.0
  Ta  Ta13  1  0.528  0.787  0.000  1.0
  Ta  Ta14  1  0.453  0.260  0.500  1.0
  Ta  Ta15  1  0.543  0.543  0.751  1.0
  Ta  Ta16  1  0.457  0.000  0.249  1.0
  Ta  Ta17  1  0.213  0.741  0.000  1.0
  Co  Co18  1  0.667  0.333  0.280  1.0
  Co  Co19  1  0.667  0.333  0.720  1.0
  Co  Co20  1  0.333  0.667  0.720  1.0
  Co  Co21  1  0.333  0.667  0.280  1.0
  S  S22  1  0.297  0.297  0.762  1.0
  S  S23  1  0.703  0.000  0.762  1.0
  S  S24  1  0.726  0.726  0.500  1.0
  S  S25  1  0.275  0.000  0.000  1.0
  S  S26  1  0.000  0.703  0.762  1.0
  S  S27  1  0.297  0.297  0.238  1.0
  S  S28  1  0.000  0.703  0.238  1.0
  S  S29  1  1.000  0.274  0.500  1.0
  S  S30  1  1.000  0.275  0.000  1.0
  S  S31  1  0.725  0.725  0.000  1.0
  S  S32  1  0.703  0.000  0.238  1.0
  S  S33  1  0.274  1.000  0.500  1.0
[/CIF]
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The crystal structure described by Ta9(CoS3)2 crystallizes in the hexagonal P-62m space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent Co(1), one S(2), and two equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing TaCo2S3 trigonal bipyramids. In the second Ta site, Ta(2) is bonded in a 5-coordinate geometry to two equivalent Co(1), one S(3), and two equivalent S(1) atoms. In the third Ta site, Ta(3) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one S(3) atom. Co(1) is bonded in a 6-coordinate geometry to three equivalent Ta(1) and three equivalent Ta(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted pentagonal planar geometry to one Ta(3), two equivalent Ta(1), and two equivalent Ta(2) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ta(1) and two equivalent Ta(3) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent Ta(2) and two equivalent Ta(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta9(CoS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.314
_cell_length_b   10.314
_cell_length_c   6.585
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   606.681
_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  0.740  0.192  0.500  1.0
  Ta  Ta1  1  0.472  0.259  0.000  1.0
  Ta  Ta2  1  0.543  0.543  0.249  1.0
  Ta  Ta3  1  1.000  0.457  0.751  1.0
  Ta  Ta4  1  0.547  0.808  0.500  1.0
  Ta  Ta5  1  0.192  0.740  0.500  1.0
  Ta  Ta6  1  0.260  0.453  0.500  1.0
  Ta  Ta7  1  0.457  0.000  0.751  1.0
  Ta  Ta8  1  0.808  0.547  0.500  1.0
  Ta  Ta9  1  0.741  0.213  0.000  1.0
  Ta  Ta10  1  0.259  0.472  0.000  1.0
  Ta  Ta11  1  0.787  0.528  0.000  1.0
  Ta  Ta12  1  1.000  0.457  0.249  1.0
  Ta  Ta13  1  0.528  0.787  0.000  1.0
  Ta  Ta14  1  0.453  0.260  0.500  1.0
  Ta  Ta15  1  0.543  0.543  0.751  1.0
  Ta  Ta16  1  0.457  0.000  0.249  1.0
  Ta  Ta17  1  0.213  0.741  0.000  1.0
  Co  Co18  1  0.667  0.333  0.280  1.0
  Co  Co19  1  0.667  0.333  0.720  1.0
  Co  Co20  1  0.333  0.667  0.720  1.0
  Co  Co21  1  0.333  0.667  0.280  1.0
  S  S22  1  0.297  0.297  0.762  1.0
  S  S23  1  0.703  0.000  0.762  1.0
  S  S24  1  0.726  0.726  0.500  1.0
  S  S25  1  0.275  0.000  0.000  1.0
  S  S26  1  0.000  0.703  0.762  1.0
  S  S27  1  0.297  0.297  0.238  1.0
  S  S28  1  0.000  0.703  0.238  1.0
  S  S29  1  1.000  0.274  0.500  1.0
  S  S30  1  1.000  0.275  0.000  1.0
  S  S31  1  0.725  0.725  0.000  1.0
  S  S32  1  0.703  0.000  0.238  1.0
  S  S33  1  0.274  1.000  0.500  1.0
[/CIF]
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