The crystal structure described by Ta3S2 crystallizes in the orthorhombic Aem2 space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a bent 150 degrees geometry to two equivalent Ta(2) and two equivalent S(2) atoms. In the second Ta site, Ta(2) is bonded to two equivalent Ta(1), two equivalent Ta(2), four equivalent Ta(3), and four equivalent Ta(4) atoms to form TaTa12 cuboctahedra that share corners with two equivalent Ta(2)Ta12 cuboctahedra, corners with six equivalent S(2)Ta4 trigonal pyramids, edges with two equivalent S(2)Ta4 trigonal pyramids, faces with two equivalent Ta(2)Ta12 cuboctahedra, and faces with two equivalent S(2)Ta4 trigonal pyramids. In the third Ta site, Ta(3) is bonded in a 3-coordinate geometry to two equivalent Ta(2), one S(1), and two equivalent S(2) atoms. In the fourth Ta site, Ta(4) is bonded in a 4-coordinate geometry to two equivalent Ta(2), one S(2), and three equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Ta(3) and three equivalent Ta(4) atoms. In the second S site, S(2) is bonded to one Ta(1), one Ta(4), and two equivalent Ta(3) atoms to form distorted STa4 trigonal pyramids that share corners with three equivalent Ta(2)Ta12 cuboctahedra, corners with three equivalent S(2)Ta4 trigonal pyramids,  an edgeedge with one Ta(2)Ta12 cuboctahedra, and  a faceface with one Ta(2)Ta12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.650
_cell_length_b   7.500
_cell_length_c   9.116
_cell_angle_alpha   90.000
_cell_angle_beta   108.053
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   367.297
_cell_formula_units_Z   4
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  0.728  0.658  0.500  1.0
  Ta  Ta1  1  0.228  0.342  0.500  1.0
  Ta  Ta2  1  0.996  0.994  0.500  1.0
  Ta  Ta3  1  0.496  0.006  0.500  1.0
  Ta  Ta4  1  0.168  0.720  0.334  1.0
  Ta  Ta5  1  0.834  0.280  0.666  1.0
  Ta  Ta6  1  0.668  0.280  0.334  1.0
  Ta  Ta7  1  0.334  0.720  0.666  1.0
  Ta  Ta8  1  0.102  0.104  0.217  1.0
  Ta  Ta9  1  0.886  0.896  0.783  1.0
  Ta  Ta10  1  0.602  0.896  0.217  1.0
  Ta  Ta11  1  0.386  0.104  0.783  1.0
  S  S12  1  0.909  0.828  0.083  1.0
  S  S13  1  0.827  0.172  0.917  1.0
  S  S14  1  0.409  0.172  0.083  1.0
  S  S15  1  0.327  0.828  0.917  1.0
  S  S16  1  0.487  0.585  0.234  1.0
  S  S17  1  0.253  0.415  0.766  1.0
  S  S18  1  0.987  0.415  0.234  1.0
  S  S19  1  0.753  0.585  0.766  1.0
[/CIF]
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The crystal structure described by Ta3S2 crystallizes in the orthorhombic Aem2 space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a bent 150 degrees geometry to two equivalent Ta(2) and two equivalent S(2) atoms. In the second Ta site, Ta(2) is bonded to two equivalent Ta(1), two equivalent Ta(2), four equivalent Ta(3), and four equivalent Ta(4) atoms to form TaTa12 cuboctahedra that share corners with two equivalent Ta(2)Ta12 cuboctahedra, corners with six equivalent S(2)Ta4 trigonal pyramids, edges with two equivalent S(2)Ta4 trigonal pyramids, faces with two equivalent Ta(2)Ta12 cuboctahedra, and faces with two equivalent S(2)Ta4 trigonal pyramids. In the third Ta site, Ta(3) is bonded in a 3-coordinate geometry to two equivalent Ta(2), one S(1), and two equivalent S(2) atoms. In the fourth Ta site, Ta(4) is bonded in a 4-coordinate geometry to two equivalent Ta(2), one S(2), and three equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Ta(3) and three equivalent Ta(4) atoms. In the second S site, S(2) is bonded to one Ta(1), one Ta(4), and two equivalent Ta(3) atoms to form distorted STa4 trigonal pyramids that share corners with three equivalent Ta(2)Ta12 cuboctahedra, corners with three equivalent S(2)Ta4 trigonal pyramids,  an edgeedge with one Ta(2)Ta12 cuboctahedra, and  a faceface with one Ta(2)Ta12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.650
_cell_length_b   7.500
_cell_length_c   9.116
_cell_angle_alpha   90.000
_cell_angle_beta   108.053
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   367.297
_cell_formula_units_Z   4
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  0.728  0.658  0.500  1.0
  Ta  Ta1  1  0.228  0.342  0.500  1.0
  Ta  Ta2  1  0.996  0.994  0.500  1.0
  Ta  Ta3  1  0.496  0.006  0.500  1.0
  Ta  Ta4  1  0.168  0.720  0.334  1.0
  Ta  Ta5  1  0.834  0.280  0.666  1.0
  Ta  Ta6  1  0.668  0.280  0.334  1.0
  Ta  Ta7  1  0.334  0.720  0.666  1.0
  Ta  Ta8  1  0.102  0.104  0.217  1.0
  Ta  Ta9  1  0.886  0.896  0.783  1.0
  Ta  Ta10  1  0.602  0.896  0.217  1.0
  Ta  Ta11  1  0.386  0.104  0.783  1.0
  S  S12  1  0.909  0.828  0.083  1.0
  S  S13  1  0.827  0.172  0.917  1.0
  S  S14  1  0.409  0.172  0.083  1.0
  S  S15  1  0.327  0.828  0.917  1.0
  S  S16  1  0.487  0.585  0.234  1.0
  S  S17  1  0.253  0.415  0.766  1.0
  S  S18  1  0.987  0.415  0.234  1.0
  S  S19  1  0.753  0.585  0.766  1.0
[/CIF]
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