The structure described by MgMnTl(VS2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one Tl(1), one S(3), two equivalent S(2), and two equivalent S(6) atoms to form distorted MgTlS5 square pyramids that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent V(3)S6 octahedra, corners with two equivalent V(4)S6 octahedra, corners with two equivalent S(1)Tl2V3 trigonal bipyramids,  an edgeedge with one V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, edges with two equivalent Mg(1)TlS5 square pyramids, and  a faceface with one V(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-50°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(7), two equivalent S(2), and two equivalent S(4) atoms to form VS6 octahedra that share corners with two equivalent V(3)S6 octahedra, corners with two equivalent V(4)S6 octahedra, corners with two equivalent Mg(1)TlS5 square pyramids, corners with two equivalent Mn(1)S5 trigonal bipyramids, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra,  an edgeedge with one Mg(1)TlS5 square pyramid, and  a faceface with one V(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the second V site, V(2) is bonded to one S(2), one S(8), two equivalent S(1), and two equivalent S(3) atoms to form VS6 octahedra that share corners with two equivalent V(3)S6 octahedra, corners with two equivalent V(4)S6 octahedra, corners with two equivalent Mn(1)S5 trigonal bipyramids, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, edges with two equivalent Mg(1)TlS5 square pyramids, and  a faceface with one V(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the third V site, V(3) is bonded to one S(3), one S(7), two equivalent S(4), and two equivalent S(6) atoms to form VS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent V(2)S6 octahedra, corners with two equivalent Mg(1)TlS5 square pyramids, corners with two equivalent Mn(1)S5 trigonal bipyramids, edges with two equivalent V(3)S6 octahedra, edges with two equivalent V(4)S6 octahedra,  a faceface with one V(1)S6 octahedra, and  a faceface with one Mg(1)TlS5 square pyramid. The corner-sharing octahedral tilt angles range from 50-53°. In the fourth V site, V(4) is bonded to one S(4), one S(8), two equivalent S(3), and two equivalent S(5) atoms to form distorted VS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent V(2)S6 octahedra, corners with two equivalent Mg(1)TlS5 square pyramids, edges with two equivalent V(3)S6 octahedra, edges with two equivalent V(4)S6 octahedra, edges with two equivalent Mn(1)S5 trigonal bipyramids, and  a faceface with one V(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. Mn(1) is bonded to one S(5), two equivalent S(7), and two equivalent S(8) atoms to form distorted MnS5 trigonal bipyramids that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent V(2)S6 octahedra, corners with two equivalent V(3)S6 octahedra, edges with two equivalent V(4)S6 octahedra, and edges with two equivalent Mn(1)S5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-69°. Tl(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent S(1), and two equivalent S(5) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one V(1), two equivalent V(2), and two equivalent Tl(1) atoms to form distorted STl2V3 trigonal bipyramids that share corners with two equivalent S(3)MgV5 pentagonal pyramids, corners with two equivalent Mg(1)TlS5 square pyramids,  a cornercorner with one S(7)Mn2V2 tetrahedra, corners with two equivalent S(4)V5 trigonal bipyramids,  an edgeedge with one S(3)MgV5 pentagonal pyramid, edges with two equivalent S(2)Mg2V3 square pyramids, and edges with two equivalent S(1)Tl2V3 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Mg(1), one V(2), and two equivalent V(1) atoms to form SMg2V3 square pyramids that share corners with two equivalent S(7)Mn2V2 tetrahedra, corners with two equivalent S(4)V5 trigonal bipyramids, corners with two equivalent S(6)Mg2V2 trigonal pyramids, edges with two equivalent S(3)MgV5 pentagonal pyramids, edges with two equivalent S(2)Mg2V3 square pyramids,  an edgeedge with one S(4)V5 trigonal bipyramid, edges with two equivalent S(1)Tl2V3 trigonal bipyramids, and  an edgeedge with one S(6)Mg2V2 trigonal pyramid. In the third S site, S(3) is bonded to one Mg(1), one V(3), two equivalent V(2), and two equivalent V(4) atoms to form distorted SMgV5 pentagonal pyramids that share  a cornercorner with one S(7)Mn2V2 tetrahedra, corners with two equivalent S(1)Tl2V3 trigonal bipyramids, edges with two equivalent S(3)MgV5 pentagonal pyramids, edges with two equivalent S(2)Mg2V3 square pyramids,  an edgeedge with one S(1)Tl2V3 trigonal bipyramid, edges with two equivalent S(4)V5 trigonal bipyramids, and edges with two equivalent S(6)Mg2V2 trigonal pyramids. In the fourth S site, S(4) is bonded to one V(4), two equivalent V(1), and two equivalent V(3) atoms to form distorted SV5 trigonal bipyramids that share corners with two equivalent S(2)Mg2V3 square pyramids, corners with two equivalent S(1)Tl2V3 trigonal bipyramids, corners with two equivalent S(6)Mg2V2 trigonal pyramids, edges with two equivalent S(3)MgV5 pentagonal pyramids,  an edgeedge with one S(2)Mg2V3 square pyramid, edges with two equivalent S(7)Mn2V2 tetrahedra, edges with two equivalent S(4)V5 trigonal bipyramids, and  an edgeedge with one S(6)Mg2V2 trigonal pyramid. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to two equivalent V(4), one Mn(1), and two equivalent Tl(1) atoms. In the sixth S site, S(6) is bonded to two equivalent Mg(1) and two equivalent V(3) atoms to form distorted SMg2V2 trigonal pyramids that share corners with two equivalent S(2)Mg2V3 square pyramids, corners with two equivalent S(7)Mn2V2 tetrahedra, corners with two equivalent S(4)V5 trigonal bipyramids, edges with two equivalent S(3)MgV5 pentagonal pyramids,  an edgeedge with one S(2)Mg2V3 square pyramid,  an edgeedge with one S(4)V5 trigonal bipyramid, and edges with two equivalent S(6)Mg2V2 trigonal pyramids. In the seventh S site, S(7) is bonded to one V(1), one V(3), and two equivalent Mn(1) atoms to form distorted SMn2V2 tetrahedra that share  a cornercorner with one S(3)MgV5 pentagonal pyramid, corners with two equivalent S(2)Mg2V3 square pyramids, corners with two equivalent S(7)Mn2V2 tetrahedra,  a cornercorner with one S(1)Tl2V3 trigonal bipyramid, corners with two equivalent S(6)Mg2V2 trigonal pyramids, and edges with two equivalent S(4)V5 trigonal bipyramids. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one V(2), one V(4), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MgMnTl(VS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.399
_cell_length_b   9.118
_cell_length_c   9.567
_cell_angle_alpha   108.376
_cell_angle_beta   100.225
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   276.421
_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
  Mg  Mg0  1  0.641  0.144  0.282  1.0
  Mn  Mn1  1  0.984  0.530  0.970  1.0
  Tl  Tl2  1  0.452  0.013  0.908  1.0
  V  V3  1  0.704  0.809  0.409  1.0
  V  V4  1  0.299  0.184  0.598  1.0
  V  V5  1  0.665  0.480  0.330  1.0
  V  V6  1  0.354  0.528  0.710  1.0
  S  S7  1  0.824  0.018  0.649  1.0
  S  S8  1  0.172  0.975  0.343  1.0
  S  S9  1  0.769  0.355  0.538  1.0
  S  S10  1  0.245  0.655  0.490  1.0
  S  S11  1  0.917  0.701  0.835  1.0
  S  S12  1  0.095  0.296  0.190  1.0
  S  S13  1  0.579  0.622  0.158  1.0
  S  S14  1  0.426  0.355  0.854  1.0
[/CIF]
.
The structure described by MgMnTl(VS2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one Tl(1), one S(3), two equivalent S(2), and two equivalent S(6) atoms to form distorted MgTlS5 square pyramids that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent V(3)S6 octahedra, corners with two equivalent V(4)S6 octahedra, corners with two equivalent S(1)Tl2V3 trigonal bipyramids,  an edgeedge with one V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, edges with two equivalent Mg(1)TlS5 square pyramids, and  a faceface with one V(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-50°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(7), two equivalent S(2), and two equivalent S(4) atoms to form VS6 octahedra that share corners with two equivalent V(3)S6 octahedra, corners with two equivalent V(4)S6 octahedra, corners with two equivalent Mg(1)TlS5 square pyramids, corners with two equivalent Mn(1)S5 trigonal bipyramids, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra,  an edgeedge with one Mg(1)TlS5 square pyramid, and  a faceface with one V(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the second V site, V(2) is bonded to one S(2), one S(8), two equivalent S(1), and two equivalent S(3) atoms to form VS6 octahedra that share corners with two equivalent V(3)S6 octahedra, corners with two equivalent V(4)S6 octahedra, corners with two equivalent Mn(1)S5 trigonal bipyramids, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, edges with two equivalent Mg(1)TlS5 square pyramids, and  a faceface with one V(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the third V site, V(3) is bonded to one S(3), one S(7), two equivalent S(4), and two equivalent S(6) atoms to form VS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent V(2)S6 octahedra, corners with two equivalent Mg(1)TlS5 square pyramids, corners with two equivalent Mn(1)S5 trigonal bipyramids, edges with two equivalent V(3)S6 octahedra, edges with two equivalent V(4)S6 octahedra,  a faceface with one V(1)S6 octahedra, and  a faceface with one Mg(1)TlS5 square pyramid. The corner-sharing octahedral tilt angles range from 50-53°. In the fourth V site, V(4) is bonded to one S(4), one S(8), two equivalent S(3), and two equivalent S(5) atoms to form distorted VS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent V(2)S6 octahedra, corners with two equivalent Mg(1)TlS5 square pyramids, edges with two equivalent V(3)S6 octahedra, edges with two equivalent V(4)S6 octahedra, edges with two equivalent Mn(1)S5 trigonal bipyramids, and  a faceface with one V(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. Mn(1) is bonded to one S(5), two equivalent S(7), and two equivalent S(8) atoms to form distorted MnS5 trigonal bipyramids that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent V(2)S6 octahedra, corners with two equivalent V(3)S6 octahedra, edges with two equivalent V(4)S6 octahedra, and edges with two equivalent Mn(1)S5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-69°. Tl(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent S(1), and two equivalent S(5) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one V(1), two equivalent V(2), and two equivalent Tl(1) atoms to form distorted STl2V3 trigonal bipyramids that share corners with two equivalent S(3)MgV5 pentagonal pyramids, corners with two equivalent Mg(1)TlS5 square pyramids,  a cornercorner with one S(7)Mn2V2 tetrahedra, corners with two equivalent S(4)V5 trigonal bipyramids,  an edgeedge with one S(3)MgV5 pentagonal pyramid, edges with two equivalent S(2)Mg2V3 square pyramids, and edges with two equivalent S(1)Tl2V3 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Mg(1), one V(2), and two equivalent V(1) atoms to form SMg2V3 square pyramids that share corners with two equivalent S(7)Mn2V2 tetrahedra, corners with two equivalent S(4)V5 trigonal bipyramids, corners with two equivalent S(6)Mg2V2 trigonal pyramids, edges with two equivalent S(3)MgV5 pentagonal pyramids, edges with two equivalent S(2)Mg2V3 square pyramids,  an edgeedge with one S(4)V5 trigonal bipyramid, edges with two equivalent S(1)Tl2V3 trigonal bipyramids, and  an edgeedge with one S(6)Mg2V2 trigonal pyramid. In the third S site, S(3) is bonded to one Mg(1), one V(3), two equivalent V(2), and two equivalent V(4) atoms to form distorted SMgV5 pentagonal pyramids that share  a cornercorner with one S(7)Mn2V2 tetrahedra, corners with two equivalent S(1)Tl2V3 trigonal bipyramids, edges with two equivalent S(3)MgV5 pentagonal pyramids, edges with two equivalent S(2)Mg2V3 square pyramids,  an edgeedge with one S(1)Tl2V3 trigonal bipyramid, edges with two equivalent S(4)V5 trigonal bipyramids, and edges with two equivalent S(6)Mg2V2 trigonal pyramids. In the fourth S site, S(4) is bonded to one V(4), two equivalent V(1), and two equivalent V(3) atoms to form distorted SV5 trigonal bipyramids that share corners with two equivalent S(2)Mg2V3 square pyramids, corners with two equivalent S(1)Tl2V3 trigonal bipyramids, corners with two equivalent S(6)Mg2V2 trigonal pyramids, edges with two equivalent S(3)MgV5 pentagonal pyramids,  an edgeedge with one S(2)Mg2V3 square pyramid, edges with two equivalent S(7)Mn2V2 tetrahedra, edges with two equivalent S(4)V5 trigonal bipyramids, and  an edgeedge with one S(6)Mg2V2 trigonal pyramid. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to two equivalent V(4), one Mn(1), and two equivalent Tl(1) atoms. In the sixth S site, S(6) is bonded to two equivalent Mg(1) and two equivalent V(3) atoms to form distorted SMg2V2 trigonal pyramids that share corners with two equivalent S(2)Mg2V3 square pyramids, corners with two equivalent S(7)Mn2V2 tetrahedra, corners with two equivalent S(4)V5 trigonal bipyramids, edges with two equivalent S(3)MgV5 pentagonal pyramids,  an edgeedge with one S(2)Mg2V3 square pyramid,  an edgeedge with one S(4)V5 trigonal bipyramid, and edges with two equivalent S(6)Mg2V2 trigonal pyramids. In the seventh S site, S(7) is bonded to one V(1), one V(3), and two equivalent Mn(1) atoms to form distorted SMn2V2 tetrahedra that share  a cornercorner with one S(3)MgV5 pentagonal pyramid, corners with two equivalent S(2)Mg2V3 square pyramids, corners with two equivalent S(7)Mn2V2 tetrahedra,  a cornercorner with one S(1)Tl2V3 trigonal bipyramid, corners with two equivalent S(6)Mg2V2 trigonal pyramids, and edges with two equivalent S(4)V5 trigonal bipyramids. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one V(2), one V(4), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MgMnTl(VS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.399
_cell_length_b   9.118
_cell_length_c   9.567
_cell_angle_alpha   108.376
_cell_angle_beta   100.225
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   276.421
_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
  Mg  Mg0  1  0.641  0.144  0.282  1.0
  Mn  Mn1  1  0.984  0.530  0.970  1.0
  Tl  Tl2  1  0.452  0.013  0.908  1.0
  V  V3  1  0.704  0.809  0.409  1.0
  V  V4  1  0.299  0.184  0.598  1.0
  V  V5  1  0.665  0.480  0.330  1.0
  V  V6  1  0.354  0.528  0.710  1.0
  S  S7  1  0.824  0.018  0.649  1.0
  S  S8  1  0.172  0.975  0.343  1.0
  S  S9  1  0.769  0.355  0.538  1.0
  S  S10  1  0.245  0.655  0.490  1.0
  S  S11  1  0.917  0.701  0.835  1.0
  S  S12  1  0.095  0.296  0.190  1.0
  S  S13  1  0.579  0.622  0.158  1.0
  S  S14  1  0.426  0.355  0.854  1.0
[/CIF]
.