The compound described by MgV2(AuS2)2 crystallizes in the trigonal P3m1 space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent Au(2) and three equivalent S(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to three equivalent S(1) and three equivalent S(3) atoms to form distorted edge-sharing VS6 pentagonal pyramids. In the second V site, V(2) is bonded to three equivalent S(2) and three equivalent S(4) atoms to form distorted edge-sharing VS6 pentagonal pyramids. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a linear geometry to one S(2) and one S(3) atom. In the second Au site, Au(2) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and three equivalent V(1) atoms to form distorted edge-sharing SMg3V3 pentagonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent V(2) and one Au(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent V(1) and one Au(1) atom. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent V(2) and one Au(2) atom. is represented by the CIF file [CIF]
data_MgV2(AuS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.243
_cell_length_b   3.243
_cell_length_c   16.936
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   154.266
_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  0.333  0.667  0.424  1.0
  V  V1  1  0.333  0.667  0.217  1.0
  V  V2  1  0.667  0.333  0.770  1.0
  Au  Au3  1  0.000  0.000  0.993  1.0
  Au  Au4  1  0.000  0.000  0.537  1.0
  S  S5  1  0.000  0.000  0.304  1.0
  S  S6  1  0.000  0.000  0.854  1.0
  S  S7  1  0.000  0.000  0.133  1.0
  S  S8  1  0.000  0.000  0.685  1.0
[/CIF]
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The compound described by MgV2(AuS2)2 crystallizes in the trigonal P3m1 space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent Au(2) and three equivalent S(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to three equivalent S(1) and three equivalent S(3) atoms to form distorted edge-sharing VS6 pentagonal pyramids. In the second V site, V(2) is bonded to three equivalent S(2) and three equivalent S(4) atoms to form distorted edge-sharing VS6 pentagonal pyramids. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a linear geometry to one S(2) and one S(3) atom. In the second Au site, Au(2) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and three equivalent V(1) atoms to form distorted edge-sharing SMg3V3 pentagonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent V(2) and one Au(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent V(1) and one Au(1) atom. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent V(2) and one Au(2) atom. is represented by the CIF file [CIF]
data_MgV2(AuS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.243
_cell_length_b   3.243
_cell_length_c   16.936
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   154.266
_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  0.333  0.667  0.424  1.0
  V  V1  1  0.333  0.667  0.217  1.0
  V  V2  1  0.667  0.333  0.770  1.0
  Au  Au3  1  0.000  0.000  0.993  1.0
  Au  Au4  1  0.000  0.000  0.537  1.0
  S  S5  1  0.000  0.000  0.304  1.0
  S  S6  1  0.000  0.000  0.854  1.0
  S  S7  1  0.000  0.000  0.133  1.0
  S  S8  1  0.000  0.000  0.685  1.0
[/CIF]
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