The crystal structure described by Ba2Mg(VS3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Mg(1), one S(1), one S(2), one S(3), one S(6), two equivalent S(4), and two equivalent S(5) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one S(1), one S(5), one S(6), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Mg(1) is bonded to one Ba(1), one S(1), one S(2), one S(3), one S(4), and one S(6) atom to form distorted MgBaS5 square pyramids that share corners with two equivalent V(2)S6 octahedra, corners with three equivalent V(1)S6 octahedra,  a cornercorner with one S(6)Ba2MgV2 square pyramid,  an edgeedge with one V(1)S6 octahedra, and  a faceface with one V(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 19-53°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form VS6 octahedra that share corners with three equivalent Mg(1)BaS5 square pyramids,  an edgeedge with one Mg(1)BaS5 square pyramid, and faces with two equivalent V(2)S6 octahedra. In the second V site, V(2) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form VS6 octahedra that share corners with two equivalent Mg(1)BaS5 square pyramids, faces with two equivalent V(1)S6 octahedra, and  a faceface with one Mg(1)BaS5 square pyramid. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one V(1), and one V(2) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one V(1), and one V(2) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one V(1), and one V(2) atom. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Mg(1), one V(1), and one V(2) atom. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one V(1), and one V(2) atom. In the sixth S site, S(6) is bonded to one Ba(1), one Ba(2), one Mg(1), one V(1), and one V(2) atom to form distorted SBa2MgV2 square pyramids that share  a cornercorner with one Mg(1)BaS5 square pyramid. is represented by the CIF file [CIF]
data_Ba2Mg(VS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.204
_cell_length_b   7.013
_cell_length_c   6.819
_cell_angle_alpha   118.684
_cell_angle_beta   88.103
_cell_angle_gamma   77.151
_symmetry_Int_Tables_number   1
_cell_volume   250.331
_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  0.653  0.204  0.596  1.0
  Ba  Ba1  1  0.261  0.697  0.341  1.0
  Mg  Mg2  1  0.063  0.497  0.749  1.0
  V  V3  1  0.532  0.996  0.998  1.0
  V  V4  1  0.006  0.008  0.006  1.0
  S  S5  1  0.813  0.788  0.124  1.0
  S  S6  1  0.352  0.693  0.843  1.0
  S  S7  1  0.224  0.176  0.846  1.0
  S  S8  1  0.202  0.169  0.342  1.0
  S  S9  1  0.685  0.304  0.160  1.0
  S  S10  1  0.829  0.802  0.672  1.0
[/CIF]
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The crystal structure described by Ba2Mg(VS3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Mg(1), one S(1), one S(2), one S(3), one S(6), two equivalent S(4), and two equivalent S(5) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one S(1), one S(5), one S(6), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Mg(1) is bonded to one Ba(1), one S(1), one S(2), one S(3), one S(4), and one S(6) atom to form distorted MgBaS5 square pyramids that share corners with two equivalent V(2)S6 octahedra, corners with three equivalent V(1)S6 octahedra,  a cornercorner with one S(6)Ba2MgV2 square pyramid,  an edgeedge with one V(1)S6 octahedra, and  a faceface with one V(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 19-53°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form VS6 octahedra that share corners with three equivalent Mg(1)BaS5 square pyramids,  an edgeedge with one Mg(1)BaS5 square pyramid, and faces with two equivalent V(2)S6 octahedra. In the second V site, V(2) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form VS6 octahedra that share corners with two equivalent Mg(1)BaS5 square pyramids, faces with two equivalent V(1)S6 octahedra, and  a faceface with one Mg(1)BaS5 square pyramid. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one V(1), and one V(2) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one V(1), and one V(2) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one V(1), and one V(2) atom. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Mg(1), one V(1), and one V(2) atom. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one V(1), and one V(2) atom. In the sixth S site, S(6) is bonded to one Ba(1), one Ba(2), one Mg(1), one V(1), and one V(2) atom to form distorted SBa2MgV2 square pyramids that share  a cornercorner with one Mg(1)BaS5 square pyramid. is represented by the CIF file [CIF]
data_Ba2Mg(VS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.204
_cell_length_b   7.013
_cell_length_c   6.819
_cell_angle_alpha   118.684
_cell_angle_beta   88.103
_cell_angle_gamma   77.151
_symmetry_Int_Tables_number   1
_cell_volume   250.331
_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  0.653  0.204  0.596  1.0
  Ba  Ba1  1  0.261  0.697  0.341  1.0
  Mg  Mg2  1  0.063  0.497  0.749  1.0
  V  V3  1  0.532  0.996  0.998  1.0
  V  V4  1  0.006  0.008  0.006  1.0
  S  S5  1  0.813  0.788  0.124  1.0
  S  S6  1  0.352  0.693  0.843  1.0
  S  S7  1  0.224  0.176  0.846  1.0
  S  S8  1  0.202  0.169  0.342  1.0
  S  S9  1  0.685  0.304  0.160  1.0
  S  S10  1  0.829  0.802  0.672  1.0
[/CIF]
.