The structure described by MgVInS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent V(1)S6 octahedra and corners with six equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. V(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent In(1)S6 octahedra. In(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form InS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent In(1)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent V(1), and one In(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgVInS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.491
_cell_length_b   7.531
_cell_length_c   7.533
_cell_angle_alpha   57.672
_cell_angle_beta   60.177
_cell_angle_gamma   60.144
_symmetry_Int_Tables_number   1
_cell_volume   295.569
_cell_formula_units_Z   2
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  0.876  0.874  0.874  1.0
  Mg  Mg1  1  0.124  0.126  0.126  1.0
  V  V2  1  0.500  0.500  1.000  1.0
  V  V3  1  0.500  1.000  0.500  1.0
  In  In4  1  0.500  0.500  0.500  1.0
  In  In5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.732  0.746  0.745  1.0
  S  S7  1  0.274  0.229  0.723  1.0
  S  S8  1  0.274  0.723  0.229  1.0
  S  S9  1  0.723  0.255  0.254  1.0
  S  S10  1  0.726  0.277  0.771  1.0
  S  S11  1  0.277  0.745  0.746  1.0
  S  S12  1  0.268  0.254  0.255  1.0
  S  S13  1  0.726  0.771  0.277  1.0
[/CIF]
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The structure described by MgVInS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent V(1)S6 octahedra and corners with six equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. V(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent In(1)S6 octahedra. In(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form InS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent In(1)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent V(1), and one In(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgVInS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.491
_cell_length_b   7.531
_cell_length_c   7.533
_cell_angle_alpha   57.672
_cell_angle_beta   60.177
_cell_angle_gamma   60.144
_symmetry_Int_Tables_number   1
_cell_volume   295.569
_cell_formula_units_Z   2
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  0.876  0.874  0.874  1.0
  Mg  Mg1  1  0.124  0.126  0.126  1.0
  V  V2  1  0.500  0.500  1.000  1.0
  V  V3  1  0.500  1.000  0.500  1.0
  In  In4  1  0.500  0.500  0.500  1.0
  In  In5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.732  0.746  0.745  1.0
  S  S7  1  0.274  0.229  0.723  1.0
  S  S8  1  0.274  0.723  0.229  1.0
  S  S9  1  0.723  0.255  0.254  1.0
  S  S10  1  0.726  0.277  0.771  1.0
  S  S11  1  0.277  0.745  0.746  1.0
  S  S12  1  0.268  0.254  0.255  1.0
  S  S13  1  0.726  0.771  0.277  1.0
[/CIF]
.