The crystal structure described by Mg2La3VS8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form MgS4 tetrahedra that share corners with three equivalent La(1)S6 octahedra, corners with three equivalent La(2)S6 octahedra, corners with three equivalent La(3)S6 octahedra, and corners with three equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-61°. There are three inequivalent La sites. In the first La site, La(1) is bonded to two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(2)S6 octahedra, edges with two equivalent La(3)S6 octahedra, and edges with two equivalent V(1)S6 octahedra. In the second La site, La(2) is bonded to two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, edges with two equivalent La(3)S6 octahedra, and edges with two equivalent V(1)S6 octahedra. In the third La site, La(3) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, edges with two equivalent La(2)S6 octahedra, and edges with two equivalent V(1)S6 octahedra. V(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(4) 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 La(2)S6 octahedra, and edges with two equivalent La(3)S6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(2), one La(3), and one V(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), one La(3), and one V(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one La(1), one La(2), and one La(3) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), one La(2), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La3Mg2VS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.070
_cell_length_b   7.921
_cell_length_c   8.062
_cell_angle_alpha   59.594
_cell_angle_beta   60.118
_cell_angle_gamma   59.536
_symmetry_Int_Tables_number   1
_cell_volume   362.309
_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
  La  La1  1  0.500  0.500  1.000  1.0
  La  La2  1  1.000  0.500  0.500  1.0
  Mg  Mg3  1  0.875  0.877  0.874  1.0
  Mg  Mg4  1  0.125  0.123  0.126  1.0
  V  V5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.727  0.780  0.727  1.0
  S  S7  1  0.273  0.220  0.734  1.0
  S  S8  1  0.251  0.746  0.252  1.0
  S  S9  1  0.736  0.222  0.271  1.0
  S  S10  1  0.749  0.254  0.748  1.0
  S  S11  1  0.264  0.778  0.729  1.0
  S  S12  1  0.273  0.220  0.273  1.0
  S  S13  1  0.727  0.780  0.266  1.0
[/CIF]
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The crystal structure described by Mg2La3VS8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form MgS4 tetrahedra that share corners with three equivalent La(1)S6 octahedra, corners with three equivalent La(2)S6 octahedra, corners with three equivalent La(3)S6 octahedra, and corners with three equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-61°. There are three inequivalent La sites. In the first La site, La(1) is bonded to two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(2)S6 octahedra, edges with two equivalent La(3)S6 octahedra, and edges with two equivalent V(1)S6 octahedra. In the second La site, La(2) is bonded to two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, edges with two equivalent La(3)S6 octahedra, and edges with two equivalent V(1)S6 octahedra. In the third La site, La(3) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, edges with two equivalent La(2)S6 octahedra, and edges with two equivalent V(1)S6 octahedra. V(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(4) 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 La(2)S6 octahedra, and edges with two equivalent La(3)S6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(2), one La(3), and one V(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), one La(3), and one V(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one La(1), one La(2), and one La(3) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), one La(2), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La3Mg2VS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.070
_cell_length_b   7.921
_cell_length_c   8.062
_cell_angle_alpha   59.594
_cell_angle_beta   60.118
_cell_angle_gamma   59.536
_symmetry_Int_Tables_number   1
_cell_volume   362.309
_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
  La  La1  1  0.500  0.500  1.000  1.0
  La  La2  1  1.000  0.500  0.500  1.0
  Mg  Mg3  1  0.875  0.877  0.874  1.0
  Mg  Mg4  1  0.125  0.123  0.126  1.0
  V  V5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.727  0.780  0.727  1.0
  S  S7  1  0.273  0.220  0.734  1.0
  S  S8  1  0.251  0.746  0.252  1.0
  S  S9  1  0.736  0.222  0.271  1.0
  S  S10  1  0.749  0.254  0.748  1.0
  S  S11  1  0.264  0.778  0.729  1.0
  S  S12  1  0.273  0.220  0.273  1.0
  S  S13  1  0.727  0.780  0.266  1.0
[/CIF]
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