The material described by Mg2Cr3CoS8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(1) and three equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent Co(1)S6 octahedra and corners with nine equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Co(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. Co(1) is bonded to six equivalent S(2) atoms to form CoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Cr(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1) and three equivalent Cr(1) atoms to form distorted SMgCr3 trigonal pyramids that share corners with nine equivalent S(2)MgCr2Co tetrahedra, corners with three equivalent S(1)MgCr3 trigonal pyramids, and edges with three equivalent S(2)MgCr2Co tetrahedra. In the second S site, S(2) is bonded to one Mg(1), two equivalent Cr(1), and one Co(1) atom to form distorted SMgCr2Co tetrahedra that share corners with nine equivalent S(2)MgCr2Co tetrahedra, corners with three equivalent S(1)MgCr3 trigonal pyramids, edges with two equivalent S(2)MgCr2Co tetrahedra, and  an edgeedge with one S(1)MgCr3 trigonal pyramid. is represented by the CIF file [CIF]
data_Mg2Cr3CoS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.152
_cell_length_b   7.152
_cell_length_c   7.151
_cell_angle_alpha   60.076
_cell_angle_beta   60.075
_cell_angle_gamma   60.080
_symmetry_Int_Tables_number   1
_cell_volume   259.073
_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  0.875  0.875  0.875  1.0
  Mg  Mg1  1  0.125  0.125  0.125  1.0
  Cr  Cr2  1  0.500  0.500  1.000  1.0
  Cr  Cr3  1  1.000  0.500  0.500  1.0
  Cr  Cr4  1  0.500  1.000  0.500  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.737  0.737  0.737  1.0
  S  S7  1  0.271  0.271  0.705  1.0
  S  S8  1  0.271  0.705  0.271  1.0
  S  S9  1  0.705  0.271  0.271  1.0
  S  S10  1  0.729  0.295  0.729  1.0
  S  S11  1  0.295  0.729  0.729  1.0
  S  S12  1  0.263  0.263  0.263  1.0
  S  S13  1  0.729  0.729  0.295  1.0
[/CIF]
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The material described by Mg2Cr3CoS8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(1) and three equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent Co(1)S6 octahedra and corners with nine equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Co(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. Co(1) is bonded to six equivalent S(2) atoms to form CoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Cr(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1) and three equivalent Cr(1) atoms to form distorted SMgCr3 trigonal pyramids that share corners with nine equivalent S(2)MgCr2Co tetrahedra, corners with three equivalent S(1)MgCr3 trigonal pyramids, and edges with three equivalent S(2)MgCr2Co tetrahedra. In the second S site, S(2) is bonded to one Mg(1), two equivalent Cr(1), and one Co(1) atom to form distorted SMgCr2Co tetrahedra that share corners with nine equivalent S(2)MgCr2Co tetrahedra, corners with three equivalent S(1)MgCr3 trigonal pyramids, edges with two equivalent S(2)MgCr2Co tetrahedra, and  an edgeedge with one S(1)MgCr3 trigonal pyramid. is represented by the CIF file [CIF]
data_Mg2Cr3CoS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.152
_cell_length_b   7.152
_cell_length_c   7.151
_cell_angle_alpha   60.076
_cell_angle_beta   60.075
_cell_angle_gamma   60.080
_symmetry_Int_Tables_number   1
_cell_volume   259.073
_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  0.875  0.875  0.875  1.0
  Mg  Mg1  1  0.125  0.125  0.125  1.0
  Cr  Cr2  1  0.500  0.500  1.000  1.0
  Cr  Cr3  1  1.000  0.500  0.500  1.0
  Cr  Cr4  1  0.500  1.000  0.500  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.737  0.737  0.737  1.0
  S  S7  1  0.271  0.271  0.705  1.0
  S  S8  1  0.271  0.705  0.271  1.0
  S  S9  1  0.705  0.271  0.271  1.0
  S  S10  1  0.729  0.295  0.729  1.0
  S  S11  1  0.295  0.729  0.729  1.0
  S  S12  1  0.263  0.263  0.263  1.0
  S  S13  1  0.729  0.729  0.295  1.0
[/CIF]
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