The structure described by Ba3Ta2S8 crystallizes in the monoclinic P2/m space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted body-centered cubic geometry to two equivalent S(8), four equivalent S(1), and four equivalent S(2) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one S(8), two equivalent S(1), two equivalent S(4), two equivalent S(5), and four equivalent S(3) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent S(2), two equivalent S(3), two equivalent S(4), two equivalent S(6), and two equivalent S(7) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), two equivalent S(6), and two equivalent S(7) atoms. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to one S(5), two equivalent S(1), two equivalent S(2), two equivalent S(8), and four equivalent S(4) atoms. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent S(8) and four equivalent S(4) atoms to form face-sharing TaS6 octahedra. In the second Ta site, Ta(2) is bonded to two equivalent S(5) and four equivalent S(3) atoms to form face-sharing TaS6 octahedra. In the third Ta site, Ta(3) is bonded to one S(6), one S(8), two equivalent S(2), and two equivalent S(4) atoms to form distorted face-sharing TaS6 octahedra. In the fourth Ta site, Ta(4) is bonded to one S(5), one S(7), two equivalent S(1), and two equivalent S(3) atoms to form distorted face-sharing TaS6 octahedra. There are eight inequivalent S sites. In the first S site, S(6) is bonded to two equivalent Ba(3), two equivalent Ba(4), and one Ta(3) atom to form distorted SBa4Ta square pyramids that share corners with four equivalent S(3)Ba4Ta2 octahedra, corners with two equivalent S(6)Ba4Ta square pyramids, edges with two equivalent S(3)Ba4Ta2 octahedra, and  an edgeedge with one S(6)Ba4Ta square pyramid. The corner-sharing octahedral tilt angles range from 42-59°. In the second S site, S(7) is bonded in a 5-coordinate geometry to two equivalent Ba(3), two equivalent Ba(4), and one Ta(4) atom. In the third S site, S(8) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(5), one Ta(1), and one Ta(3) atom. In the fourth S site, S(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Ba(5), and one Ta(4) atom. In the fifth S site, S(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one Ba(4), one Ba(5), and one Ta(3) atom. In the sixth S site, S(3) is bonded to one Ba(3), one Ba(4), two equivalent Ba(2), one Ta(2), and one Ta(4) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(3)Ba4Ta2 octahedra, corners with two equivalent S(6)Ba4Ta square pyramids,  an edgeedge with one S(3)Ba4Ta2 octahedra,  an edgeedge with one S(6)Ba4Ta square pyramid, and faces with three equivalent S(3)Ba4Ta2 octahedra. The corner-sharing octahedra are not tilted. In the seventh S site, S(4) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(5), one Ta(1), and one Ta(3) atom. In the eighth S site, S(5) is bonded in a 5-coordinate geometry to one Ba(5), two equivalent Ba(2), one Ta(2), and one Ta(4) atom. is represented by the CIF card [CIF]
data_Ba3(TaS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.932
_cell_length_b   12.099
_cell_length_c   12.729
_cell_angle_alpha   70.844
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1008.542
_cell_formula_units_Z   3
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
  Ba  Ba0  1  0.000  0.500  0.000  1.0
  Ba  Ba1  1  0.000  0.954  0.691  1.0
  Ba  Ba2  1  0.000  0.046  0.309  1.0
  Ba  Ba3  1  0.500  0.721  0.343  1.0
  Ba  Ba4  1  0.500  0.279  0.657  1.0
  Ba  Ba5  1  0.000  0.595  0.635  1.0
  Ba  Ba6  1  0.500  0.182  0.037  1.0
  Ba  Ba7  1  0.500  0.818  0.963  1.0
  Ba  Ba8  1  0.000  0.405  0.365  1.0
  Ta  Ta9  1  0.000  0.000  0.000  1.0
  Ta  Ta10  1  0.500  0.000  0.500  1.0
  Ta  Ta11  1  0.000  0.730  0.172  1.0
  Ta  Ta12  1  0.000  0.270  0.828  1.0
  Ta  Ta13  1  0.500  0.733  0.676  1.0
  Ta  Ta14  1  0.500  0.267  0.324  1.0
  S  S15  1  0.751  0.688  0.801  1.0
  S  S16  1  0.751  0.312  0.199  1.0
  S  S17  1  0.249  0.312  0.199  1.0
  S  S18  1  0.249  0.688  0.801  1.0
  S  S19  1  0.745  0.616  0.154  1.0
  S  S20  1  0.745  0.384  0.846  1.0
  S  S21  1  0.255  0.384  0.846  1.0
  S  S22  1  0.255  0.616  0.154  1.0
  S  S23  1  0.743  0.848  0.516  1.0
  S  S24  1  0.743  0.152  0.484  1.0
  S  S25  1  0.257  0.152  0.484  1.0
  S  S26  1  0.257  0.848  0.516  1.0
  S  S27  1  0.760  0.908  0.145  1.0
  S  S28  1  0.760  0.092  0.855  1.0
  S  S29  1  0.240  0.092  0.855  1.0
  S  S30  1  0.500  0.943  0.700  1.0
  S  S31  1  0.500  0.057  0.300  1.0
  S  S32  1  0.000  0.677  0.367  1.0
  S  S33  1  0.000  0.323  0.633  1.0
  S  S34  1  0.500  0.578  0.605  1.0
  S  S35  1  0.500  0.422  0.395  1.0
  S  S36  1  0.000  0.822  0.955  1.0
  S  S37  1  0.000  0.178  0.045  1.0
  S  S38  1  0.240  0.908  0.145  1.0
[/CIF]
.
The structure described by Ba3Ta2S8 crystallizes in the monoclinic P2/m space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted body-centered cubic geometry to two equivalent S(8), four equivalent S(1), and four equivalent S(2) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one S(8), two equivalent S(1), two equivalent S(4), two equivalent S(5), and four equivalent S(3) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent S(2), two equivalent S(3), two equivalent S(4), two equivalent S(6), and two equivalent S(7) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), two equivalent S(6), and two equivalent S(7) atoms. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to one S(5), two equivalent S(1), two equivalent S(2), two equivalent S(8), and four equivalent S(4) atoms. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent S(8) and four equivalent S(4) atoms to form face-sharing TaS6 octahedra. In the second Ta site, Ta(2) is bonded to two equivalent S(5) and four equivalent S(3) atoms to form face-sharing TaS6 octahedra. In the third Ta site, Ta(3) is bonded to one S(6), one S(8), two equivalent S(2), and two equivalent S(4) atoms to form distorted face-sharing TaS6 octahedra. In the fourth Ta site, Ta(4) is bonded to one S(5), one S(7), two equivalent S(1), and two equivalent S(3) atoms to form distorted face-sharing TaS6 octahedra. There are eight inequivalent S sites. In the first S site, S(6) is bonded to two equivalent Ba(3), two equivalent Ba(4), and one Ta(3) atom to form distorted SBa4Ta square pyramids that share corners with four equivalent S(3)Ba4Ta2 octahedra, corners with two equivalent S(6)Ba4Ta square pyramids, edges with two equivalent S(3)Ba4Ta2 octahedra, and  an edgeedge with one S(6)Ba4Ta square pyramid. The corner-sharing octahedral tilt angles range from 42-59°. In the second S site, S(7) is bonded in a 5-coordinate geometry to two equivalent Ba(3), two equivalent Ba(4), and one Ta(4) atom. In the third S site, S(8) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(5), one Ta(1), and one Ta(3) atom. In the fourth S site, S(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Ba(5), and one Ta(4) atom. In the fifth S site, S(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one Ba(4), one Ba(5), and one Ta(3) atom. In the sixth S site, S(3) is bonded to one Ba(3), one Ba(4), two equivalent Ba(2), one Ta(2), and one Ta(4) atom to form distorted SBa4Ta2 octahedra that share  a cornercorner with one S(3)Ba4Ta2 octahedra, corners with two equivalent S(6)Ba4Ta square pyramids,  an edgeedge with one S(3)Ba4Ta2 octahedra,  an edgeedge with one S(6)Ba4Ta square pyramid, and faces with three equivalent S(3)Ba4Ta2 octahedra. The corner-sharing octahedra are not tilted. In the seventh S site, S(4) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(5), one Ta(1), and one Ta(3) atom. In the eighth S site, S(5) is bonded in a 5-coordinate geometry to one Ba(5), two equivalent Ba(2), one Ta(2), and one Ta(4) atom. is represented by the CIF card [CIF]
data_Ba3(TaS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.932
_cell_length_b   12.099
_cell_length_c   12.729
_cell_angle_alpha   70.844
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1008.542
_cell_formula_units_Z   3
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
  Ba  Ba0  1  0.000  0.500  0.000  1.0
  Ba  Ba1  1  0.000  0.954  0.691  1.0
  Ba  Ba2  1  0.000  0.046  0.309  1.0
  Ba  Ba3  1  0.500  0.721  0.343  1.0
  Ba  Ba4  1  0.500  0.279  0.657  1.0
  Ba  Ba5  1  0.000  0.595  0.635  1.0
  Ba  Ba6  1  0.500  0.182  0.037  1.0
  Ba  Ba7  1  0.500  0.818  0.963  1.0
  Ba  Ba8  1  0.000  0.405  0.365  1.0
  Ta  Ta9  1  0.000  0.000  0.000  1.0
  Ta  Ta10  1  0.500  0.000  0.500  1.0
  Ta  Ta11  1  0.000  0.730  0.172  1.0
  Ta  Ta12  1  0.000  0.270  0.828  1.0
  Ta  Ta13  1  0.500  0.733  0.676  1.0
  Ta  Ta14  1  0.500  0.267  0.324  1.0
  S  S15  1  0.751  0.688  0.801  1.0
  S  S16  1  0.751  0.312  0.199  1.0
  S  S17  1  0.249  0.312  0.199  1.0
  S  S18  1  0.249  0.688  0.801  1.0
  S  S19  1  0.745  0.616  0.154  1.0
  S  S20  1  0.745  0.384  0.846  1.0
  S  S21  1  0.255  0.384  0.846  1.0
  S  S22  1  0.255  0.616  0.154  1.0
  S  S23  1  0.743  0.848  0.516  1.0
  S  S24  1  0.743  0.152  0.484  1.0
  S  S25  1  0.257  0.152  0.484  1.0
  S  S26  1  0.257  0.848  0.516  1.0
  S  S27  1  0.760  0.908  0.145  1.0
  S  S28  1  0.760  0.092  0.855  1.0
  S  S29  1  0.240  0.092  0.855  1.0
  S  S30  1  0.500  0.943  0.700  1.0
  S  S31  1  0.500  0.057  0.300  1.0
  S  S32  1  0.000  0.677  0.367  1.0
  S  S33  1  0.000  0.323  0.633  1.0
  S  S34  1  0.500  0.578  0.605  1.0
  S  S35  1  0.500  0.422  0.395  1.0
  S  S36  1  0.000  0.822  0.955  1.0
  S  S37  1  0.000  0.178  0.045  1.0
  S  S38  1  0.240  0.908  0.145  1.0
[/CIF]
.