The material structure described by Ba(V3S4)4 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 9-coordinate geometry to one S(1), one S(4), one S(5), two equivalent S(7), two equivalent S(8), and two equivalent S(9) atoms. There are nine inequivalent V sites. In the first V site, V(1) is bonded to one S(2), one S(6), two equivalent S(12), and two equivalent S(9) atoms to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the second V site, V(2) is bonded to one S(1), one S(5), two equivalent S(12), and two equivalent S(9) atoms to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the third V site, V(3) is bonded to one S(2), one S(4), two equivalent S(12), and two equivalent S(7) atoms to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the fourth V site, V(4) is bonded to one S(1), one S(3), two equivalent S(12), and two equivalent S(7) atoms to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the fifth V site, V(5) is bonded to one S(4), one S(6), two equivalent S(12), and two equivalent S(8) atoms to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the sixth V site, V(6) is bonded to one S(3), one S(5), two equivalent S(12), and two equivalent S(8) atoms to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. In the seventh V site, V(7) is bonded to one S(10), one S(11), one S(5), one S(6), one S(7), and one S(9) atom to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the eighth V site, V(8) is bonded to one S(1), one S(10), one S(11), one S(2), one S(7), and one S(8) atom to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the ninth V site, V(9) is bonded to one S(10), one S(11), one S(3), one S(4), one S(8), and one S(9) atom to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. There are twelve inequivalent S sites. In the first S site, S(1) is bonded to one Ba(1), one V(2), one V(4), and two equivalent V(8) atoms to form distorted SBaV4 trigonal bipyramids that share corners with two equivalent S(11)V6 pentagonal pyramids,  a cornercorner with one S(4)BaV4 trigonal bipyramid, corners with two equivalent S(5)BaV4 trigonal bipyramids,  an edgeedge with one S(10)V6 pentagonal pyramid, and edges with two equivalent S(12)V6 pentagonal pyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to one V(1), one V(3), and two equivalent V(8) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to one V(4), one V(6), and two equivalent V(9) atoms. In the fourth S site, S(4) is bonded to one Ba(1), one V(3), one V(5), and two equivalent V(9) atoms to form distorted SBaV4 trigonal bipyramids that share corners with two equivalent S(10)V6 pentagonal pyramids,  a cornercorner with one S(1)BaV4 trigonal bipyramid,  a cornercorner with one S(5)BaV4 trigonal bipyramid,  an edgeedge with one S(11)V6 pentagonal pyramid, and edges with two equivalent S(12)V6 pentagonal pyramids. In the fifth S site, S(5) is bonded to one Ba(1), one V(2), one V(6), and two equivalent V(7) atoms to form distorted SBaV4 trigonal bipyramids that share corners with two equivalent S(10)V6 pentagonal pyramids,  a cornercorner with one S(4)BaV4 trigonal bipyramid, corners with two equivalent S(1)BaV4 trigonal bipyramids,  an edgeedge with one S(11)V6 pentagonal pyramid, and edges with two equivalent S(12)V6 pentagonal pyramids. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one V(1), one V(5), and two equivalent V(7) atoms. In the seventh S site, S(7) is bonded in a 5-coordinate geometry to one Ba(1), one V(3), one V(4), one V(7), and one V(8) atom. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to one Ba(1), one V(5), one V(6), one V(8), and one V(9) atom. In the ninth S site, S(9) is bonded in a 5-coordinate geometry to one Ba(1), one V(1), one V(2), one V(7), and one V(9) atom. In the tenth S site, S(10) is bonded to two equivalent V(7), two equivalent V(8), and two equivalent V(9) atoms to form distorted SV6 pentagonal pyramids that share corners with two equivalent S(4)BaV4 trigonal bipyramids, corners with two equivalent S(5)BaV4 trigonal bipyramids,  an edgeedge with one S(1)BaV4 trigonal bipyramid, and faces with two equivalent S(11)V6 pentagonal pyramids. In the eleventh S site, S(11) is bonded to two equivalent V(7), two equivalent V(8), and two equivalent V(9) atoms to form distorted SV6 pentagonal pyramids that share corners with two equivalent S(1)BaV4 trigonal bipyramids,  an edgeedge with one S(4)BaV4 trigonal bipyramid,  an edgeedge with one S(5)BaV4 trigonal bipyramid, and faces with two equivalent S(10)V6 pentagonal pyramids. In the twelfth S site, S(12) 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  an edgeedge with one S(1)BaV4 trigonal bipyramid,  an edgeedge with one S(4)BaV4 trigonal bipyramid,  an edgeedge with one S(5)BaV4 trigonal bipyramid, and faces with two equivalent S(12)V6 pentagonal pyramids. is represented by the CIF card [CIF]
data_Ba(V3S4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.774
_cell_length_b   9.774
_cell_length_c   9.226
_cell_angle_alpha   61.963
_cell_angle_beta   61.963
_cell_angle_gamma   38.734
_symmetry_Int_Tables_number   1
_cell_volume   478.104
_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
  Ba  Ba0  1  0.375  0.375  0.999  1.0
  V  V1  1  0.932  0.932  0.511  1.0
  V  V2  1  0.432  0.432  0.514  1.0
  V  V3  1  0.130  0.130  0.377  1.0
  V  V4  1  0.632  0.632  0.369  1.0
  V  V5  1  0.059  0.059  0.116  1.0
  V  V6  1  0.564  0.564  0.113  1.0
  V  V7  1  0.065  0.572  0.492  1.0
  V  V8  1  0.572  0.065  0.492  1.0
  V  V9  1  0.878  0.363  0.621  1.0
  V  V10  1  0.363  0.878  0.621  1.0
  V  V11  1  0.929  0.443  0.887  1.0
  V  V12  1  0.443  0.929  0.887  1.0
  S  S13  1  0.526  0.526  0.643  1.0
  S  S14  1  0.021  0.021  0.654  1.0
  S  S15  1  0.702  0.702  0.053  1.0
  S  S16  1  0.197  0.197  0.055  1.0
  S  S17  1  0.402  0.402  0.300  1.0
  S  S18  1  0.902  0.902  0.294  1.0
  S  S19  1  0.480  0.979  0.344  1.0
  S  S20  1  0.979  0.480  0.344  1.0
  S  S21  1  0.296  0.797  0.947  1.0
  S  S22  1  0.797  0.296  0.947  1.0
  S  S23  1  0.601  0.096  0.710  1.0
  S  S24  1  0.096  0.601  0.710  1.0
  S  S25  1  0.708  0.708  0.666  1.0
  S  S26  1  0.209  0.209  0.667  1.0
  S  S27  1  0.291  0.792  0.333  1.0
  S  S28  1  0.792  0.291  0.333  1.0
[/CIF]
.
The material structure described by Ba(V3S4)4 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 9-coordinate geometry to one S(1), one S(4), one S(5), two equivalent S(7), two equivalent S(8), and two equivalent S(9) atoms. There are nine inequivalent V sites. In the first V site, V(1) is bonded to one S(2), one S(6), two equivalent S(12), and two equivalent S(9) atoms to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the second V site, V(2) is bonded to one S(1), one S(5), two equivalent S(12), and two equivalent S(9) atoms to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the third V site, V(3) is bonded to one S(2), one S(4), two equivalent S(12), and two equivalent S(7) atoms to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the fourth V site, V(4) is bonded to one S(1), one S(3), two equivalent S(12), and two equivalent S(7) atoms to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the fifth V site, V(5) is bonded to one S(4), one S(6), two equivalent S(12), and two equivalent S(8) atoms to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the sixth V site, V(6) is bonded to one S(3), one S(5), two equivalent S(12), and two equivalent S(8) atoms to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. In the seventh V site, V(7) is bonded to one S(10), one S(11), one S(5), one S(6), one S(7), and one S(9) atom to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the eighth V site, V(8) is bonded to one S(1), one S(10), one S(11), one S(2), one S(7), and one S(8) atom to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the ninth V site, V(9) is bonded to one S(10), one S(11), one S(3), one S(4), one S(8), and one S(9) atom to form a mixture of distorted corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. There are twelve inequivalent S sites. In the first S site, S(1) is bonded to one Ba(1), one V(2), one V(4), and two equivalent V(8) atoms to form distorted SBaV4 trigonal bipyramids that share corners with two equivalent S(11)V6 pentagonal pyramids,  a cornercorner with one S(4)BaV4 trigonal bipyramid, corners with two equivalent S(5)BaV4 trigonal bipyramids,  an edgeedge with one S(10)V6 pentagonal pyramid, and edges with two equivalent S(12)V6 pentagonal pyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to one V(1), one V(3), and two equivalent V(8) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to one V(4), one V(6), and two equivalent V(9) atoms. In the fourth S site, S(4) is bonded to one Ba(1), one V(3), one V(5), and two equivalent V(9) atoms to form distorted SBaV4 trigonal bipyramids that share corners with two equivalent S(10)V6 pentagonal pyramids,  a cornercorner with one S(1)BaV4 trigonal bipyramid,  a cornercorner with one S(5)BaV4 trigonal bipyramid,  an edgeedge with one S(11)V6 pentagonal pyramid, and edges with two equivalent S(12)V6 pentagonal pyramids. In the fifth S site, S(5) is bonded to one Ba(1), one V(2), one V(6), and two equivalent V(7) atoms to form distorted SBaV4 trigonal bipyramids that share corners with two equivalent S(10)V6 pentagonal pyramids,  a cornercorner with one S(4)BaV4 trigonal bipyramid, corners with two equivalent S(1)BaV4 trigonal bipyramids,  an edgeedge with one S(11)V6 pentagonal pyramid, and edges with two equivalent S(12)V6 pentagonal pyramids. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one V(1), one V(5), and two equivalent V(7) atoms. In the seventh S site, S(7) is bonded in a 5-coordinate geometry to one Ba(1), one V(3), one V(4), one V(7), and one V(8) atom. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to one Ba(1), one V(5), one V(6), one V(8), and one V(9) atom. In the ninth S site, S(9) is bonded in a 5-coordinate geometry to one Ba(1), one V(1), one V(2), one V(7), and one V(9) atom. In the tenth S site, S(10) is bonded to two equivalent V(7), two equivalent V(8), and two equivalent V(9) atoms to form distorted SV6 pentagonal pyramids that share corners with two equivalent S(4)BaV4 trigonal bipyramids, corners with two equivalent S(5)BaV4 trigonal bipyramids,  an edgeedge with one S(1)BaV4 trigonal bipyramid, and faces with two equivalent S(11)V6 pentagonal pyramids. In the eleventh S site, S(11) is bonded to two equivalent V(7), two equivalent V(8), and two equivalent V(9) atoms to form distorted SV6 pentagonal pyramids that share corners with two equivalent S(1)BaV4 trigonal bipyramids,  an edgeedge with one S(4)BaV4 trigonal bipyramid,  an edgeedge with one S(5)BaV4 trigonal bipyramid, and faces with two equivalent S(10)V6 pentagonal pyramids. In the twelfth S site, S(12) 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  an edgeedge with one S(1)BaV4 trigonal bipyramid,  an edgeedge with one S(4)BaV4 trigonal bipyramid,  an edgeedge with one S(5)BaV4 trigonal bipyramid, and faces with two equivalent S(12)V6 pentagonal pyramids. is represented by the CIF card [CIF]
data_Ba(V3S4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.774
_cell_length_b   9.774
_cell_length_c   9.226
_cell_angle_alpha   61.963
_cell_angle_beta   61.963
_cell_angle_gamma   38.734
_symmetry_Int_Tables_number   1
_cell_volume   478.104
_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
  Ba  Ba0  1  0.375  0.375  0.999  1.0
  V  V1  1  0.932  0.932  0.511  1.0
  V  V2  1  0.432  0.432  0.514  1.0
  V  V3  1  0.130  0.130  0.377  1.0
  V  V4  1  0.632  0.632  0.369  1.0
  V  V5  1  0.059  0.059  0.116  1.0
  V  V6  1  0.564  0.564  0.113  1.0
  V  V7  1  0.065  0.572  0.492  1.0
  V  V8  1  0.572  0.065  0.492  1.0
  V  V9  1  0.878  0.363  0.621  1.0
  V  V10  1  0.363  0.878  0.621  1.0
  V  V11  1  0.929  0.443  0.887  1.0
  V  V12  1  0.443  0.929  0.887  1.0
  S  S13  1  0.526  0.526  0.643  1.0
  S  S14  1  0.021  0.021  0.654  1.0
  S  S15  1  0.702  0.702  0.053  1.0
  S  S16  1  0.197  0.197  0.055  1.0
  S  S17  1  0.402  0.402  0.300  1.0
  S  S18  1  0.902  0.902  0.294  1.0
  S  S19  1  0.480  0.979  0.344  1.0
  S  S20  1  0.979  0.480  0.344  1.0
  S  S21  1  0.296  0.797  0.947  1.0
  S  S22  1  0.797  0.296  0.947  1.0
  S  S23  1  0.601  0.096  0.710  1.0
  S  S24  1  0.096  0.601  0.710  1.0
  S  S25  1  0.708  0.708  0.666  1.0
  S  S26  1  0.209  0.209  0.667  1.0
  S  S27  1  0.291  0.792  0.333  1.0
  S  S28  1  0.792  0.291  0.333  1.0
[/CIF]
.