The crystal structure described by Ta4MnS8 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form distorted TaS6 pentagonal pyramids that share corners with four equivalent Mn(1)S6 octahedra, edges with two equivalent Ta(2)S6 pentagonal pyramids, and edges with four equivalent Ta(1)S6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 48°. In the second Ta site, Ta(2) is bonded to six equivalent S(1) atoms to form distorted TaS6 pentagonal pyramids that share edges with six equivalent Ta(1)S6 pentagonal pyramids and faces with two equivalent Mn(1)S6 octahedra. Mn(1) is bonded to six equivalent S(1) atoms to form MnS6 octahedra that share corners with twelve equivalent Ta(1)S6 pentagonal pyramids and faces with two equivalent Ta(2)S6 pentagonal pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ta(2), two equivalent Ta(1), and one Mn(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to three equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_Ta4MnS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.682
_cell_length_b   6.682
_cell_length_c   12.558
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   485.557
_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  0.507  0.493  0.750  1.0
  Ta  Ta1  1  0.013  0.507  0.250  1.0
  Ta  Ta2  1  0.493  0.987  0.250  1.0
  Ta  Ta3  1  0.507  0.013  0.750  1.0
  Ta  Ta4  1  0.987  0.493  0.750  1.0
  Ta  Ta5  1  0.493  0.507  0.250  1.0
  Ta  Ta6  1  0.000  0.000  0.750  1.0
  Ta  Ta7  1  1.000  1.000  0.250  1.0
  Mn  Mn8  1  0.000  0.000  0.500  1.0
  Mn  Mn9  1  1.000  0.000  0.000  1.0
  S  S10  1  0.831  0.169  0.373  1.0
  S  S11  1  0.831  0.663  0.373  1.0
  S  S12  1  0.337  0.169  0.373  1.0
  S  S13  1  0.663  0.831  0.873  1.0
  S  S14  1  0.169  0.337  0.627  1.0
  S  S15  1  0.169  0.831  0.873  1.0
  S  S16  1  0.169  0.337  0.873  1.0
  S  S17  1  0.831  0.169  0.127  1.0
  S  S18  1  0.337  0.169  0.127  1.0
  S  S19  1  0.663  0.831  0.627  1.0
  S  S20  1  0.333  0.667  0.123  1.0
  S  S21  1  0.667  0.333  0.623  1.0
  S  S22  1  0.667  0.333  0.877  1.0
  S  S23  1  0.333  0.667  0.377  1.0
  S  S24  1  0.831  0.663  0.127  1.0
  S  S25  1  0.169  0.831  0.627  1.0
[/CIF]
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The crystal structure described by Ta4MnS8 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form distorted TaS6 pentagonal pyramids that share corners with four equivalent Mn(1)S6 octahedra, edges with two equivalent Ta(2)S6 pentagonal pyramids, and edges with four equivalent Ta(1)S6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 48°. In the second Ta site, Ta(2) is bonded to six equivalent S(1) atoms to form distorted TaS6 pentagonal pyramids that share edges with six equivalent Ta(1)S6 pentagonal pyramids and faces with two equivalent Mn(1)S6 octahedra. Mn(1) is bonded to six equivalent S(1) atoms to form MnS6 octahedra that share corners with twelve equivalent Ta(1)S6 pentagonal pyramids and faces with two equivalent Ta(2)S6 pentagonal pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ta(2), two equivalent Ta(1), and one Mn(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to three equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_Ta4MnS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.682
_cell_length_b   6.682
_cell_length_c   12.558
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   485.557
_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  0.507  0.493  0.750  1.0
  Ta  Ta1  1  0.013  0.507  0.250  1.0
  Ta  Ta2  1  0.493  0.987  0.250  1.0
  Ta  Ta3  1  0.507  0.013  0.750  1.0
  Ta  Ta4  1  0.987  0.493  0.750  1.0
  Ta  Ta5  1  0.493  0.507  0.250  1.0
  Ta  Ta6  1  0.000  0.000  0.750  1.0
  Ta  Ta7  1  1.000  1.000  0.250  1.0
  Mn  Mn8  1  0.000  0.000  0.500  1.0
  Mn  Mn9  1  1.000  0.000  0.000  1.0
  S  S10  1  0.831  0.169  0.373  1.0
  S  S11  1  0.831  0.663  0.373  1.0
  S  S12  1  0.337  0.169  0.373  1.0
  S  S13  1  0.663  0.831  0.873  1.0
  S  S14  1  0.169  0.337  0.627  1.0
  S  S15  1  0.169  0.831  0.873  1.0
  S  S16  1  0.169  0.337  0.873  1.0
  S  S17  1  0.831  0.169  0.127  1.0
  S  S18  1  0.337  0.169  0.127  1.0
  S  S19  1  0.663  0.831  0.627  1.0
  S  S20  1  0.333  0.667  0.123  1.0
  S  S21  1  0.667  0.333  0.623  1.0
  S  S22  1  0.667  0.333  0.877  1.0
  S  S23  1  0.333  0.667  0.377  1.0
  S  S24  1  0.831  0.663  0.127  1.0
  S  S25  1  0.169  0.831  0.627  1.0
[/CIF]
.