The crystal structure described by Mg2LaV3S8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form MgS4 tetrahedra that share corners with three equivalent La(1)S6 octahedra, corners with three equivalent V(1)S6 octahedra, and corners with six equivalent V(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-70°. La(1) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent V(2)S6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(1) and four equivalent S(3) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, and edges with four equivalent V(2)S6 octahedra. In the second V site, V(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, edges with two equivalent V(1)S6 octahedra, and edges with two equivalent V(2)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent V(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), and two equivalent V(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), one V(1), and one V(2) atom. is represented by the CIF file [CIF]
data_LaMg2V3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.620
_cell_length_b   7.610
_cell_length_c   7.607
_cell_angle_alpha   57.991
_cell_angle_beta   57.939
_cell_angle_gamma   57.836
_symmetry_Int_Tables_number   1
_cell_volume   297.037
_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
  La  La0  1  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.873  0.873  0.874  1.0
  Mg  Mg2  1  0.127  0.128  0.126  1.0
  V  V3  1  0.500  0.500  1.000  1.0
  V  V4  1  1.000  0.500  0.500  1.0
  V  V5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.738  0.739  0.739  1.0
  S  S7  1  0.238  0.238  0.724  1.0
  S  S8  1  0.238  0.724  0.238  1.0
  S  S9  1  0.724  0.238  0.238  1.0
  S  S10  1  0.762  0.276  0.762  1.0
  S  S11  1  0.276  0.762  0.762  1.0
  S  S12  1  0.262  0.261  0.261  1.0
  S  S13  1  0.762  0.762  0.276  1.0
[/CIF]
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The crystal structure described by Mg2LaV3S8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form MgS4 tetrahedra that share corners with three equivalent La(1)S6 octahedra, corners with three equivalent V(1)S6 octahedra, and corners with six equivalent V(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-70°. La(1) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent V(2)S6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(1) and four equivalent S(3) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, and edges with four equivalent V(2)S6 octahedra. In the second V site, V(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, edges with two equivalent V(1)S6 octahedra, and edges with two equivalent V(2)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent V(2) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), and two equivalent V(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), one V(1), and one V(2) atom. is represented by the CIF file [CIF]
data_LaMg2V3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.620
_cell_length_b   7.610
_cell_length_c   7.607
_cell_angle_alpha   57.991
_cell_angle_beta   57.939
_cell_angle_gamma   57.836
_symmetry_Int_Tables_number   1
_cell_volume   297.037
_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
  La  La0  1  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.873  0.873  0.874  1.0
  Mg  Mg2  1  0.127  0.128  0.126  1.0
  V  V3  1  0.500  0.500  1.000  1.0
  V  V4  1  1.000  0.500  0.500  1.0
  V  V5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.738  0.739  0.739  1.0
  S  S7  1  0.238  0.238  0.724  1.0
  S  S8  1  0.238  0.724  0.238  1.0
  S  S9  1  0.724  0.238  0.238  1.0
  S  S10  1  0.762  0.276  0.762  1.0
  S  S11  1  0.276  0.762  0.762  1.0
  S  S12  1  0.262  0.261  0.261  1.0
  S  S13  1  0.762  0.762  0.276  1.0
[/CIF]
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