The structure described by Mg(VS2)4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a distorted tetrahedral geometry to two equivalent V(1), two equivalent V(2), two equivalent S(2), and two equivalent S(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 7-coordinate geometry to one Mg(1), one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms. In the second V site, V(2) is bonded in a 7-coordinate geometry to one Mg(1), one S(1), one S(2), two equivalent S(3), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one V(2) and two equivalent V(1) atoms. In the second S site, S(2) is bonded in a distorted single-bond geometry to one Mg(1), one V(2), and two equivalent V(1) atoms. In the third S site, S(3) is bonded in a distorted single-bond geometry to one Mg(1), one V(1), and two equivalent V(2) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one V(1) and two equivalent V(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(VS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.165
_cell_length_b   7.165
_cell_length_c   7.177
_cell_angle_alpha   59.934
_cell_angle_beta   59.935
_cell_angle_gamma   59.912
_symmetry_Int_Tables_number   1
_cell_volume   260.099
_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  0.377  0.377  0.373  1.0
  V  V1  1  0.521  0.939  0.520  1.0
  V  V2  1  0.939  0.521  0.520  1.0
  V  V3  1  0.521  0.521  0.937  1.0
  V  V4  1  0.521  0.521  0.521  1.0
  S  S5  1  0.747  0.747  0.747  1.0
  S  S6  1  0.249  0.249  0.754  1.0
  S  S7  1  0.247  0.757  0.248  1.0
  S  S8  1  0.757  0.247  0.248  1.0
  S  S9  1  0.249  0.249  0.249  1.0
  S  S10  1  0.747  0.747  0.258  1.0
  S  S11  1  0.258  0.748  0.747  1.0
  S  S12  1  0.748  0.258  0.747  1.0
[/CIF]
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The structure described by Mg(VS2)4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a distorted tetrahedral geometry to two equivalent V(1), two equivalent V(2), two equivalent S(2), and two equivalent S(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 7-coordinate geometry to one Mg(1), one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms. In the second V site, V(2) is bonded in a 7-coordinate geometry to one Mg(1), one S(1), one S(2), two equivalent S(3), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one V(2) and two equivalent V(1) atoms. In the second S site, S(2) is bonded in a distorted single-bond geometry to one Mg(1), one V(2), and two equivalent V(1) atoms. In the third S site, S(3) is bonded in a distorted single-bond geometry to one Mg(1), one V(1), and two equivalent V(2) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one V(1) and two equivalent V(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(VS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.165
_cell_length_b   7.165
_cell_length_c   7.177
_cell_angle_alpha   59.934
_cell_angle_beta   59.935
_cell_angle_gamma   59.912
_symmetry_Int_Tables_number   1
_cell_volume   260.099
_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  0.377  0.377  0.373  1.0
  V  V1  1  0.521  0.939  0.520  1.0
  V  V2  1  0.939  0.521  0.520  1.0
  V  V3  1  0.521  0.521  0.937  1.0
  V  V4  1  0.521  0.521  0.521  1.0
  S  S5  1  0.747  0.747  0.747  1.0
  S  S6  1  0.249  0.249  0.754  1.0
  S  S7  1  0.247  0.757  0.248  1.0
  S  S8  1  0.757  0.247  0.248  1.0
  S  S9  1  0.249  0.249  0.249  1.0
  S  S10  1  0.747  0.747  0.258  1.0
  S  S11  1  0.258  0.748  0.747  1.0
  S  S12  1  0.748  0.258  0.747  1.0
[/CIF]
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