The structure described by Ba2Mg(VS3)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one S(3), two equivalent S(2), two equivalent S(4), and four equivalent S(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Mg(1), two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Mg(1) is bonded in a 5-coordinate geometry to one Ba(2), one S(4), two equivalent S(1), and two equivalent S(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one S(3), two equivalent S(1), and two equivalent S(2) atoms to form a mixture of distorted edge and face-sharing VS5 trigonal bipyramids. In the second V site, V(2) is bonded to one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms to form a mixture of edge and face-sharing VS6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), one V(1), and one V(2) atom. In the second S site, S(2) is bonded to one Ba(1), one Ba(2), one Mg(1), one V(1), and one V(2) atom to form a mixture of distorted edge and face-sharing SBa2MgV2 square pyramids. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one V(1), and one V(2) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Mg(1), and one V(2) atom. is represented by the CIF card [CIF]
data_Ba2Mg(VS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.404
_cell_length_b   7.129
_cell_length_c   7.129
_cell_angle_alpha   122.450
_cell_angle_beta   72.368
_cell_angle_gamma   107.632
_symmetry_Int_Tables_number   1
_cell_volume   257.725
_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  0.195  0.668  0.332  1.0
  Ba  Ba1  1  0.831  0.276  0.724  1.0
  Mg  Mg2  1  0.453  0.427  0.573  1.0
  V  V3  1  0.517  0.963  0.037  1.0
  V  V4  1  0.988  0.002  0.998  1.0
  S  S5  1  0.210  0.162  0.290  1.0
  S  S6  1  0.762  0.801  0.694  1.0
  S  S7  1  0.210  0.710  0.838  1.0
  S  S8  1  0.762  0.306  0.199  1.0
  S  S9  1  0.679  0.826  0.174  1.0
  S  S10  1  0.303  0.208  0.792  1.0
[/CIF]
.
The structure described by Ba2Mg(VS3)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one S(3), two equivalent S(2), two equivalent S(4), and four equivalent S(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Mg(1), two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Mg(1) is bonded in a 5-coordinate geometry to one Ba(2), one S(4), two equivalent S(1), and two equivalent S(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one S(3), two equivalent S(1), and two equivalent S(2) atoms to form a mixture of distorted edge and face-sharing VS5 trigonal bipyramids. In the second V site, V(2) is bonded to one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms to form a mixture of edge and face-sharing VS6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), one V(1), and one V(2) atom. In the second S site, S(2) is bonded to one Ba(1), one Ba(2), one Mg(1), one V(1), and one V(2) atom to form a mixture of distorted edge and face-sharing SBa2MgV2 square pyramids. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one V(1), and one V(2) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Mg(1), and one V(2) atom. is represented by the CIF card [CIF]
data_Ba2Mg(VS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.404
_cell_length_b   7.129
_cell_length_c   7.129
_cell_angle_alpha   122.450
_cell_angle_beta   72.368
_cell_angle_gamma   107.632
_symmetry_Int_Tables_number   1
_cell_volume   257.725
_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  0.195  0.668  0.332  1.0
  Ba  Ba1  1  0.831  0.276  0.724  1.0
  Mg  Mg2  1  0.453  0.427  0.573  1.0
  V  V3  1  0.517  0.963  0.037  1.0
  V  V4  1  0.988  0.002  0.998  1.0
  S  S5  1  0.210  0.162  0.290  1.0
  S  S6  1  0.762  0.801  0.694  1.0
  S  S7  1  0.210  0.710  0.838  1.0
  S  S8  1  0.762  0.306  0.199  1.0
  S  S9  1  0.679  0.826  0.174  1.0
  S  S10  1  0.303  0.208  0.792  1.0
[/CIF]
.