The crystal structure described by Mg2VCo3S8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent V(1)S6 octahedra, corners with three equivalent Co(1)S6 octahedra, and corners with six equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. V(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Co(1)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form CoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. In the second Co site, Co(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form CoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent Co(1)S6 octahedra, and edges with two equivalent Co(2)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one V(1), and two equivalent Co(2) atoms to form distorted SMgVCo2 tetrahedra that share corners with three equivalent S(3)MgCo3 tetrahedra, corners with three equivalent S(1)MgVCo2 tetrahedra, corners with six equivalent S(2)MgVCo2 tetrahedra,  an edgeedge with one S(3)MgCo3 tetrahedra, and edges with two equivalent S(2)MgVCo2 tetrahedra. In the second S site, S(2) is bonded to one Mg(1), one V(1), one Co(1), and one Co(2) atom to form distorted SMgVCo2 tetrahedra that share corners with three equivalent S(3)MgCo3 tetrahedra, corners with three equivalent S(1)MgVCo2 tetrahedra, corners with six equivalent S(2)MgVCo2 tetrahedra,  an edgeedge with one S(3)MgCo3 tetrahedra,  an edgeedge with one S(1)MgVCo2 tetrahedra, and  an edgeedge with one S(2)MgVCo2 tetrahedra. In the third S site, S(3) is bonded to one Mg(1), one Co(1), and two equivalent Co(2) atoms to form SMgCo3 tetrahedra that share corners with three equivalent S(3)MgCo3 tetrahedra, corners with three equivalent S(1)MgVCo2 tetrahedra, corners with six equivalent S(2)MgVCo2 tetrahedra,  an edgeedge with one S(1)MgVCo2 tetrahedra, and edges with two equivalent S(2)MgVCo2 tetrahedra. is represented by the CIF card [CIF]
data_Mg2VCo3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.045
_cell_length_b   7.000
_cell_length_c   7.041
_cell_angle_alpha   59.901
_cell_angle_beta   59.977
_cell_angle_gamma   59.894
_symmetry_Int_Tables_number   1
_cell_volume   245.103
_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  0.876  0.873  0.876  1.0
  Mg  Mg1  1  0.124  0.127  0.124  1.0
  V  V2  1  0.500  1.000  0.500  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.500  0.500  1.000  1.0
  Co  Co5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.741  0.720  0.741  1.0
  S  S7  1  0.259  0.280  0.702  1.0
  S  S8  1  0.269  0.693  0.269  1.0
  S  S9  1  0.702  0.280  0.259  1.0
  S  S10  1  0.731  0.307  0.731  1.0
  S  S11  1  0.298  0.720  0.741  1.0
  S  S12  1  0.259  0.280  0.259  1.0
  S  S13  1  0.741  0.720  0.298  1.0
[/CIF]
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The crystal structure described by Mg2VCo3S8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent V(1)S6 octahedra, corners with three equivalent Co(1)S6 octahedra, and corners with six equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. V(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Co(1)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form CoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. In the second Co site, Co(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form CoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent Co(1)S6 octahedra, and edges with two equivalent Co(2)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one V(1), and two equivalent Co(2) atoms to form distorted SMgVCo2 tetrahedra that share corners with three equivalent S(3)MgCo3 tetrahedra, corners with three equivalent S(1)MgVCo2 tetrahedra, corners with six equivalent S(2)MgVCo2 tetrahedra,  an edgeedge with one S(3)MgCo3 tetrahedra, and edges with two equivalent S(2)MgVCo2 tetrahedra. In the second S site, S(2) is bonded to one Mg(1), one V(1), one Co(1), and one Co(2) atom to form distorted SMgVCo2 tetrahedra that share corners with three equivalent S(3)MgCo3 tetrahedra, corners with three equivalent S(1)MgVCo2 tetrahedra, corners with six equivalent S(2)MgVCo2 tetrahedra,  an edgeedge with one S(3)MgCo3 tetrahedra,  an edgeedge with one S(1)MgVCo2 tetrahedra, and  an edgeedge with one S(2)MgVCo2 tetrahedra. In the third S site, S(3) is bonded to one Mg(1), one Co(1), and two equivalent Co(2) atoms to form SMgCo3 tetrahedra that share corners with three equivalent S(3)MgCo3 tetrahedra, corners with three equivalent S(1)MgVCo2 tetrahedra, corners with six equivalent S(2)MgVCo2 tetrahedra,  an edgeedge with one S(1)MgVCo2 tetrahedra, and edges with two equivalent S(2)MgVCo2 tetrahedra. is represented by the CIF card [CIF]
data_Mg2VCo3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.045
_cell_length_b   7.000
_cell_length_c   7.041
_cell_angle_alpha   59.901
_cell_angle_beta   59.977
_cell_angle_gamma   59.894
_symmetry_Int_Tables_number   1
_cell_volume   245.103
_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  0.876  0.873  0.876  1.0
  Mg  Mg1  1  0.124  0.127  0.124  1.0
  V  V2  1  0.500  1.000  0.500  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.500  0.500  1.000  1.0
  Co  Co5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.741  0.720  0.741  1.0
  S  S7  1  0.259  0.280  0.702  1.0
  S  S8  1  0.269  0.693  0.269  1.0
  S  S9  1  0.702  0.280  0.259  1.0
  S  S10  1  0.731  0.307  0.731  1.0
  S  S11  1  0.298  0.720  0.741  1.0
  S  S12  1  0.259  0.280  0.259  1.0
  S  S13  1  0.741  0.720  0.298  1.0
[/CIF]
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