The compound described by MgMnTl(VS2)4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Tl(1), one S(1), one S(6), and two equivalent S(8) atoms. 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 Mn(1)S6 octahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and  a faceface with one V(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. 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)S6 octahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and  a faceface with one V(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. 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, edges with two equivalent V(3)S6 octahedra, edges with two equivalent V(4)S6 octahedra, edges with two equivalent Mn(1)S6 octahedra, and  a faceface with one V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. 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 VS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent V(2)S6 octahedra, edges with two equivalent V(3)S6 octahedra, edges with two equivalent V(4)S6 octahedra, edges with two equivalent Mn(1)S6 octahedra, and  a faceface with one V(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. Mn(1) is bonded to one S(5), one S(6), two equivalent S(7), and two equivalent S(8) atoms to form MnS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent V(2)S6 octahedra, edges with two equivalent V(3)S6 octahedra, edges with two equivalent V(4)S6 octahedra, and edges with two equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. Tl(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one S(7), and two equivalent S(2) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent V(2) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to one V(2), two equivalent V(1), and two equivalent Tl(1) atoms. In the third S site, S(3) is bonded to one V(3), two equivalent V(2), and two equivalent V(4) atoms to form distorted SV5 square pyramids that share  a cornercorner with one S(7)Mn2TlV2 square pyramid, edges with two equivalent S(8)Mg2Mn2V2 pentagonal pyramids, edges with two equivalent S(3)V5 square pyramids, and edges with two equivalent S(4)V5 square 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 square pyramids that share  a cornercorner with one S(8)Mg2Mn2V2 pentagonal pyramid, edges with two equivalent S(7)Mn2TlV2 square pyramids, edges with two equivalent S(3)V5 square pyramids, and edges with two equivalent S(4)V5 square pyramids. In the fifth S site, S(5) is bonded in a distorted T-shaped geometry to two equivalent V(4) and one Mn(1) atom. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent V(3), and one Mn(1) atom. In the seventh S site, S(7) is bonded to one V(1), one V(3), two equivalent Mn(1), and one Tl(1) atom to form distorted SMn2TlV2 square pyramids that share corners with two equivalent S(8)Mg2Mn2V2 pentagonal pyramids,  a cornercorner with one S(3)V5 square pyramid, corners with two equivalent S(7)Mn2TlV2 square pyramids,  an edgeedge with one S(8)Mg2Mn2V2 pentagonal pyramid, and edges with two equivalent S(4)V5 square pyramids. In the eighth S site, S(8) is bonded to two equivalent Mg(1), one V(2), one V(4), and two equivalent Mn(1) atoms to form distorted SMg2Mn2V2 pentagonal pyramids that share  a cornercorner with one S(4)V5 square pyramid, corners with two equivalent S(7)Mn2TlV2 square pyramids, edges with two equivalent S(8)Mg2Mn2V2 pentagonal pyramids,  an edgeedge with one S(7)Mn2TlV2 square pyramid, and edges with two equivalent S(3)V5 square pyramids. is represented by the CIF card [CIF]
data_MgMnTl(VS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.461
_cell_length_b   9.003
_cell_length_c   9.328
_cell_angle_alpha   104.631
_cell_angle_beta   100.676
_cell_angle_gamma   89.936
_symmetry_Int_Tables_number   1
_cell_volume   276.050
_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  0.957  0.172  0.913  1.0
  Mn  Mn1  1  0.003  0.518  0.006  1.0
  Tl  Tl2  1  0.525  0.946  0.047  1.0
  V  V3  1  0.702  0.825  0.406  1.0
  V  V4  1  0.288  0.174  0.577  1.0
  V  V5  1  0.664  0.500  0.326  1.0
  V  V6  1  0.335  0.517  0.668  1.0
  S  S7  1  0.826  0.016  0.651  1.0
  S  S8  1  0.170  0.986  0.341  1.0
  S  S9  1  0.755  0.342  0.509  1.0
  S  S10  1  0.240  0.662  0.481  1.0
  S  S11  1  0.908  0.660  0.817  1.0
  S  S12  1  0.088  0.346  0.175  1.0
  S  S13  1  0.577  0.668  0.155  1.0
  S  S14  1  0.421  0.341  0.842  1.0
[/CIF]
.
The compound described by MgMnTl(VS2)4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Tl(1), one S(1), one S(6), and two equivalent S(8) atoms. 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 Mn(1)S6 octahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and  a faceface with one V(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. 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)S6 octahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and  a faceface with one V(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. 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, edges with two equivalent V(3)S6 octahedra, edges with two equivalent V(4)S6 octahedra, edges with two equivalent Mn(1)S6 octahedra, and  a faceface with one V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. 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 VS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent V(2)S6 octahedra, edges with two equivalent V(3)S6 octahedra, edges with two equivalent V(4)S6 octahedra, edges with two equivalent Mn(1)S6 octahedra, and  a faceface with one V(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. Mn(1) is bonded to one S(5), one S(6), two equivalent S(7), and two equivalent S(8) atoms to form MnS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent V(2)S6 octahedra, edges with two equivalent V(3)S6 octahedra, edges with two equivalent V(4)S6 octahedra, and edges with two equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. Tl(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one S(7), and two equivalent S(2) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent V(2) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to one V(2), two equivalent V(1), and two equivalent Tl(1) atoms. In the third S site, S(3) is bonded to one V(3), two equivalent V(2), and two equivalent V(4) atoms to form distorted SV5 square pyramids that share  a cornercorner with one S(7)Mn2TlV2 square pyramid, edges with two equivalent S(8)Mg2Mn2V2 pentagonal pyramids, edges with two equivalent S(3)V5 square pyramids, and edges with two equivalent S(4)V5 square 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 square pyramids that share  a cornercorner with one S(8)Mg2Mn2V2 pentagonal pyramid, edges with two equivalent S(7)Mn2TlV2 square pyramids, edges with two equivalent S(3)V5 square pyramids, and edges with two equivalent S(4)V5 square pyramids. In the fifth S site, S(5) is bonded in a distorted T-shaped geometry to two equivalent V(4) and one Mn(1) atom. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent V(3), and one Mn(1) atom. In the seventh S site, S(7) is bonded to one V(1), one V(3), two equivalent Mn(1), and one Tl(1) atom to form distorted SMn2TlV2 square pyramids that share corners with two equivalent S(8)Mg2Mn2V2 pentagonal pyramids,  a cornercorner with one S(3)V5 square pyramid, corners with two equivalent S(7)Mn2TlV2 square pyramids,  an edgeedge with one S(8)Mg2Mn2V2 pentagonal pyramid, and edges with two equivalent S(4)V5 square pyramids. In the eighth S site, S(8) is bonded to two equivalent Mg(1), one V(2), one V(4), and two equivalent Mn(1) atoms to form distorted SMg2Mn2V2 pentagonal pyramids that share  a cornercorner with one S(4)V5 square pyramid, corners with two equivalent S(7)Mn2TlV2 square pyramids, edges with two equivalent S(8)Mg2Mn2V2 pentagonal pyramids,  an edgeedge with one S(7)Mn2TlV2 square pyramid, and edges with two equivalent S(3)V5 square pyramids. is represented by the CIF card [CIF]
data_MgMnTl(VS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.461
_cell_length_b   9.003
_cell_length_c   9.328
_cell_angle_alpha   104.631
_cell_angle_beta   100.676
_cell_angle_gamma   89.936
_symmetry_Int_Tables_number   1
_cell_volume   276.050
_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  0.957  0.172  0.913  1.0
  Mn  Mn1  1  0.003  0.518  0.006  1.0
  Tl  Tl2  1  0.525  0.946  0.047  1.0
  V  V3  1  0.702  0.825  0.406  1.0
  V  V4  1  0.288  0.174  0.577  1.0
  V  V5  1  0.664  0.500  0.326  1.0
  V  V6  1  0.335  0.517  0.668  1.0
  S  S7  1  0.826  0.016  0.651  1.0
  S  S8  1  0.170  0.986  0.341  1.0
  S  S9  1  0.755  0.342  0.509  1.0
  S  S10  1  0.240  0.662  0.481  1.0
  S  S11  1  0.908  0.660  0.817  1.0
  S  S12  1  0.088  0.346  0.175  1.0
  S  S13  1  0.577  0.668  0.155  1.0
  S  S14  1  0.421  0.341  0.842  1.0
[/CIF]
.