The crystal structure described by Tl(V3S4)4 crystallizes in the triclinic P1 space group. There are twelve inequivalent V sites. In the first V site, V(1) is bonded to one S(10), one S(15), one S(16), one S(3), one S(4), and one S(6) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the second V site, V(2) is bonded to one S(15), one S(16), one S(3), one S(4), one S(5), and one S(9) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the third V site, V(3) is bonded to one S(11), one S(12), one S(3), one S(4), one S(6), and one S(8) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the fourth V site, V(4) is bonded to one S(11), one S(12), one S(3), one S(4), one S(5), and one S(7) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the fifth V site, V(5) is bonded to one S(10), one S(13), one S(14), one S(3), one S(4), and one S(8) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the sixth V site, V(6) is bonded to one S(13), one S(14), one S(3), one S(4), one S(7), and one S(9) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the seventh V site, V(7) is bonded to one S(1), one S(10), one S(12), one S(16), one S(2), and one S(9) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. In the eighth V site, V(8) is bonded to one S(1), one S(10), one S(11), one S(15), one S(2), and one S(9) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. In the ninth V site, V(9) is bonded to one S(1), one S(12), one S(14), one S(2), one S(5), and one S(6) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the tenth V site, V(10) is bonded to one S(1), one S(11), one S(13), one S(2), one S(5), and one S(6) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the eleventh V site, V(11) is bonded to one S(1), one S(14), one S(16), one S(2), one S(7), and one S(8) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the twelfth V site, V(12) is bonded to one S(1), one S(13), one S(15), one S(2), one S(7), and one S(8) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. Tl(1) is bonded in a distorted trigonal planar geometry to one S(10), one S(6), and one S(7) atom. There are sixteen inequivalent S sites. In the first S site, S(1) is bonded to one V(10), one V(11), one V(12), one V(7), one V(8), and one V(9) atom to form distorted SV6 pentagonal pyramids that share corners with two equivalent S(9)V4 trigonal pyramids,  an edgeedge with one S(11)V4 trigonal pyramid,  an edgeedge with one S(15)V4 trigonal pyramid,  an edgeedge with one S(16)V4 trigonal pyramid, and faces with two equivalent S(2)V6 pentagonal pyramids. In the second S site, S(2) is bonded to one V(10), one V(11), one V(12), one V(7), one V(8), and one V(9) atom to form distorted SV6 pentagonal pyramids that share  an edgeedge with one S(11)V4 trigonal pyramid,  an edgeedge with one S(15)V4 trigonal pyramid,  an edgeedge with one S(16)V4 trigonal pyramid,  an edgeedge with one S(9)V4 trigonal pyramid, and faces with two equivalent S(1)V6 pentagonal pyramids. In the third S site, S(3) is bonded to one V(1), one V(2), one V(3), one V(4), one V(5), and one V(6) atom to form distorted SV6 pentagonal pyramids that share corners with two equivalent S(15)V4 trigonal pyramids,  an edgeedge with one S(11)V4 trigonal pyramid,  an edgeedge with one S(16)V4 trigonal pyramid,  an edgeedge with one S(9)V4 trigonal pyramid, and faces with two equivalent S(4)V6 pentagonal pyramids. In the fourth S site, S(4) is bonded to one V(1), one V(2), one V(3), one V(4), one V(5), and one V(6) atom to form distorted SV6 pentagonal pyramids that share corners with two equivalent S(11)V4 trigonal pyramids, corners with two equivalent S(16)V4 trigonal pyramids,  an edgeedge with one S(15)V4 trigonal pyramid,  an edgeedge with one S(9)V4 trigonal pyramid, and faces with two equivalent S(3)V6 pentagonal pyramids. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one V(10), one V(2), one V(4), and one V(9) atom. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to one V(1), one V(10), one V(3), one V(9), and one Tl(1) atom. In the seventh S site, S(7) is bonded in a 4-coordinate geometry to one V(11), one V(12), one V(4), one V(6), and one Tl(1) atom. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to one V(11), one V(12), one V(3), and one V(5) atom. In the ninth S site, S(9) is bonded to one V(2), one V(6), one V(7), and one V(8) atom to form SV4 trigonal pyramids that share corners with two equivalent S(1)V6 pentagonal pyramids,  a cornercorner with one S(11)V4 trigonal pyramid,  an edgeedge with one S(2)V6 pentagonal pyramid,  an edgeedge with one S(3)V6 pentagonal pyramid,  an edgeedge with one S(4)V6 pentagonal pyramid,  an edgeedge with one S(15)V4 trigonal pyramid, and  an edgeedge with one S(16)V4 trigonal pyramid. In the tenth S site, S(10) is bonded in a 5-coordinate geometry to one V(1), one V(5), one V(7), one V(8), and one Tl(1) atom. In the eleventh S site, S(11) is bonded to one V(10), one V(3), one V(4), and one V(8) atom to form SV4 trigonal pyramids that share corners with two equivalent S(4)V6 pentagonal pyramids,  a cornercorner with one S(15)V4 trigonal pyramid,  a cornercorner with one S(9)V4 trigonal pyramid,  an edgeedge with one S(1)V6 pentagonal pyramid,  an edgeedge with one S(2)V6 pentagonal pyramid, and  an edgeedge with one S(3)V6 pentagonal pyramid. In the twelfth S site, S(12) is bonded in a rectangular see-saw-like geometry to one V(3), one V(4), one V(7), and one V(9) atom. In the thirteenth S site, S(13) is bonded in a rectangular see-saw-like geometry to one V(10), one V(12), one V(5), and one V(6) atom. In the fourteenth S site, S(14) is bonded in a distorted rectangular see-saw-like geometry to one V(11), one V(5), one V(6), and one V(9) atom. In the fifteenth S site, S(15) is bonded to one V(1), one V(12), one V(2), and one V(8) atom to form distorted SV4 trigonal pyramids that share corners with two equivalent S(3)V6 pentagonal pyramids,  a cornercorner with one S(11)V4 trigonal pyramid, corners with two equivalent S(16)V4 trigonal pyramids,  an edgeedge with one S(1)V6 pentagonal pyramid,  an edgeedge with one S(2)V6 pentagonal pyramid,  an edgeedge with one S(4)V6 pentagonal pyramid, and  an edgeedge with one S(9)V4 trigonal pyramid. In the sixteenth S site, S(16) is bonded to one V(1), one V(11), one V(2), and one V(7) atom to form SV4 trigonal pyramids that share corners with two equivalent S(4)V6 pentagonal pyramids, corners with two equivalent S(15)V4 trigonal pyramids,  an edgeedge with one S(1)V6 pentagonal pyramid,  an edgeedge with one S(2)V6 pentagonal pyramid,  an edgeedge with one S(3)V6 pentagonal pyramid, and  an edgeedge with one S(9)V4 trigonal pyramid. is represented by the CIF card [CIF]
data_Tl(V3S4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.079
_cell_length_b   9.209
_cell_length_c   9.945
_cell_angle_alpha   117.934
_cell_angle_beta   110.843
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   524.300
_cell_formula_units_Z   1
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
  Tl  Tl0  1  0.197  0.999  1.000  1.0
  V  V1  1  0.189  0.652  0.130  1.0
  V  V2  1  0.690  0.655  0.130  1.0
  V  V3  1  0.386  0.862  0.518  1.0
  V  V4  1  0.879  0.860  0.513  1.0
  V  V5  1  0.301  0.491  0.356  1.0
  V  V6  1  0.801  0.487  0.350  1.0
  V  V7  1  0.809  0.348  0.869  1.0
  V  V8  1  0.310  0.349  0.870  1.0
  V  V9  1  0.621  0.139  0.486  1.0
  V  V10  1  0.113  0.138  0.485  1.0
  V  V11  1  0.694  0.510  0.647  1.0
  V  V12  1  0.200  0.509  0.644  1.0
  S  S13  1  0.960  0.336  0.669  1.0
  S  S14  1  0.458  0.331  0.667  1.0
  S  S15  1  0.042  0.668  0.333  1.0
  S  S16  1  0.540  0.665  0.331  1.0
  S  S17  1  0.780  0.958  0.312  1.0
  S  S18  1  0.283  0.959  0.316  1.0
  S  S19  1  0.946  0.684  0.644  1.0
  S  S20  1  0.449  0.689  0.650  1.0
  S  S21  1  0.646  0.356  0.042  1.0
  S  S22  1  0.146  0.357  0.045  1.0
  S  S23  1  0.217  0.041  0.688  1.0
  S  S24  1  0.721  0.042  0.689  1.0
  S  S25  1  0.050  0.310  0.350  1.0
  S  S26  1  0.551  0.312  0.352  1.0
  S  S27  1  0.353  0.646  0.956  1.0
  S  S28  1  0.853  0.646  0.957  1.0
[/CIF]
.
The crystal structure described by Tl(V3S4)4 crystallizes in the triclinic P1 space group. There are twelve inequivalent V sites. In the first V site, V(1) is bonded to one S(10), one S(15), one S(16), one S(3), one S(4), and one S(6) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the second V site, V(2) is bonded to one S(15), one S(16), one S(3), one S(4), one S(5), and one S(9) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the third V site, V(3) is bonded to one S(11), one S(12), one S(3), one S(4), one S(6), and one S(8) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the fourth V site, V(4) is bonded to one S(11), one S(12), one S(3), one S(4), one S(5), and one S(7) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the fifth V site, V(5) is bonded to one S(10), one S(13), one S(14), one S(3), one S(4), and one S(8) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the sixth V site, V(6) is bonded to one S(13), one S(14), one S(3), one S(4), one S(7), and one S(9) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the seventh V site, V(7) is bonded to one S(1), one S(10), one S(12), one S(16), one S(2), and one S(9) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. In the eighth V site, V(8) is bonded to one S(1), one S(10), one S(11), one S(15), one S(2), and one S(9) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. In the ninth V site, V(9) is bonded to one S(1), one S(12), one S(14), one S(2), one S(5), and one S(6) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the tenth V site, V(10) is bonded to one S(1), one S(11), one S(13), one S(2), one S(5), and one S(6) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the eleventh V site, V(11) is bonded to one S(1), one S(14), one S(16), one S(2), one S(7), and one S(8) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the twelfth V site, V(12) is bonded to one S(1), one S(13), one S(15), one S(2), one S(7), and one S(8) atom to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. Tl(1) is bonded in a distorted trigonal planar geometry to one S(10), one S(6), and one S(7) atom. There are sixteen inequivalent S sites. In the first S site, S(1) is bonded to one V(10), one V(11), one V(12), one V(7), one V(8), and one V(9) atom to form distorted SV6 pentagonal pyramids that share corners with two equivalent S(9)V4 trigonal pyramids,  an edgeedge with one S(11)V4 trigonal pyramid,  an edgeedge with one S(15)V4 trigonal pyramid,  an edgeedge with one S(16)V4 trigonal pyramid, and faces with two equivalent S(2)V6 pentagonal pyramids. In the second S site, S(2) is bonded to one V(10), one V(11), one V(12), one V(7), one V(8), and one V(9) atom to form distorted SV6 pentagonal pyramids that share  an edgeedge with one S(11)V4 trigonal pyramid,  an edgeedge with one S(15)V4 trigonal pyramid,  an edgeedge with one S(16)V4 trigonal pyramid,  an edgeedge with one S(9)V4 trigonal pyramid, and faces with two equivalent S(1)V6 pentagonal pyramids. In the third S site, S(3) is bonded to one V(1), one V(2), one V(3), one V(4), one V(5), and one V(6) atom to form distorted SV6 pentagonal pyramids that share corners with two equivalent S(15)V4 trigonal pyramids,  an edgeedge with one S(11)V4 trigonal pyramid,  an edgeedge with one S(16)V4 trigonal pyramid,  an edgeedge with one S(9)V4 trigonal pyramid, and faces with two equivalent S(4)V6 pentagonal pyramids. In the fourth S site, S(4) is bonded to one V(1), one V(2), one V(3), one V(4), one V(5), and one V(6) atom to form distorted SV6 pentagonal pyramids that share corners with two equivalent S(11)V4 trigonal pyramids, corners with two equivalent S(16)V4 trigonal pyramids,  an edgeedge with one S(15)V4 trigonal pyramid,  an edgeedge with one S(9)V4 trigonal pyramid, and faces with two equivalent S(3)V6 pentagonal pyramids. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one V(10), one V(2), one V(4), and one V(9) atom. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to one V(1), one V(10), one V(3), one V(9), and one Tl(1) atom. In the seventh S site, S(7) is bonded in a 4-coordinate geometry to one V(11), one V(12), one V(4), one V(6), and one Tl(1) atom. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to one V(11), one V(12), one V(3), and one V(5) atom. In the ninth S site, S(9) is bonded to one V(2), one V(6), one V(7), and one V(8) atom to form SV4 trigonal pyramids that share corners with two equivalent S(1)V6 pentagonal pyramids,  a cornercorner with one S(11)V4 trigonal pyramid,  an edgeedge with one S(2)V6 pentagonal pyramid,  an edgeedge with one S(3)V6 pentagonal pyramid,  an edgeedge with one S(4)V6 pentagonal pyramid,  an edgeedge with one S(15)V4 trigonal pyramid, and  an edgeedge with one S(16)V4 trigonal pyramid. In the tenth S site, S(10) is bonded in a 5-coordinate geometry to one V(1), one V(5), one V(7), one V(8), and one Tl(1) atom. In the eleventh S site, S(11) is bonded to one V(10), one V(3), one V(4), and one V(8) atom to form SV4 trigonal pyramids that share corners with two equivalent S(4)V6 pentagonal pyramids,  a cornercorner with one S(15)V4 trigonal pyramid,  a cornercorner with one S(9)V4 trigonal pyramid,  an edgeedge with one S(1)V6 pentagonal pyramid,  an edgeedge with one S(2)V6 pentagonal pyramid, and  an edgeedge with one S(3)V6 pentagonal pyramid. In the twelfth S site, S(12) is bonded in a rectangular see-saw-like geometry to one V(3), one V(4), one V(7), and one V(9) atom. In the thirteenth S site, S(13) is bonded in a rectangular see-saw-like geometry to one V(10), one V(12), one V(5), and one V(6) atom. In the fourteenth S site, S(14) is bonded in a distorted rectangular see-saw-like geometry to one V(11), one V(5), one V(6), and one V(9) atom. In the fifteenth S site, S(15) is bonded to one V(1), one V(12), one V(2), and one V(8) atom to form distorted SV4 trigonal pyramids that share corners with two equivalent S(3)V6 pentagonal pyramids,  a cornercorner with one S(11)V4 trigonal pyramid, corners with two equivalent S(16)V4 trigonal pyramids,  an edgeedge with one S(1)V6 pentagonal pyramid,  an edgeedge with one S(2)V6 pentagonal pyramid,  an edgeedge with one S(4)V6 pentagonal pyramid, and  an edgeedge with one S(9)V4 trigonal pyramid. In the sixteenth S site, S(16) is bonded to one V(1), one V(11), one V(2), and one V(7) atom to form SV4 trigonal pyramids that share corners with two equivalent S(4)V6 pentagonal pyramids, corners with two equivalent S(15)V4 trigonal pyramids,  an edgeedge with one S(1)V6 pentagonal pyramid,  an edgeedge with one S(2)V6 pentagonal pyramid,  an edgeedge with one S(3)V6 pentagonal pyramid, and  an edgeedge with one S(9)V4 trigonal pyramid. is represented by the CIF card [CIF]
data_Tl(V3S4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.079
_cell_length_b   9.209
_cell_length_c   9.945
_cell_angle_alpha   117.934
_cell_angle_beta   110.843
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   524.300
_cell_formula_units_Z   1
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
  Tl  Tl0  1  0.197  0.999  1.000  1.0
  V  V1  1  0.189  0.652  0.130  1.0
  V  V2  1  0.690  0.655  0.130  1.0
  V  V3  1  0.386  0.862  0.518  1.0
  V  V4  1  0.879  0.860  0.513  1.0
  V  V5  1  0.301  0.491  0.356  1.0
  V  V6  1  0.801  0.487  0.350  1.0
  V  V7  1  0.809  0.348  0.869  1.0
  V  V8  1  0.310  0.349  0.870  1.0
  V  V9  1  0.621  0.139  0.486  1.0
  V  V10  1  0.113  0.138  0.485  1.0
  V  V11  1  0.694  0.510  0.647  1.0
  V  V12  1  0.200  0.509  0.644  1.0
  S  S13  1  0.960  0.336  0.669  1.0
  S  S14  1  0.458  0.331  0.667  1.0
  S  S15  1  0.042  0.668  0.333  1.0
  S  S16  1  0.540  0.665  0.331  1.0
  S  S17  1  0.780  0.958  0.312  1.0
  S  S18  1  0.283  0.959  0.316  1.0
  S  S19  1  0.946  0.684  0.644  1.0
  S  S20  1  0.449  0.689  0.650  1.0
  S  S21  1  0.646  0.356  0.042  1.0
  S  S22  1  0.146  0.357  0.045  1.0
  S  S23  1  0.217  0.041  0.688  1.0
  S  S24  1  0.721  0.042  0.689  1.0
  S  S25  1  0.050  0.310  0.350  1.0
  S  S26  1  0.551  0.312  0.352  1.0
  S  S27  1  0.353  0.646  0.956  1.0
  S  S28  1  0.853  0.646  0.957  1.0
[/CIF]
.