The crystal structure described by Mg2Mn3CoS8 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 Mn(2)S6 octahedra, corners with three equivalent Co(1)S6 octahedra, and corners with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with two equivalent Co(1)S6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Co(1)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. 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 Mn(2)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted corner-sharing SMgMn3 trigonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Co(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Mn(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Mn3CoS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.189
_cell_length_b   7.177
_cell_length_c   7.176
_cell_angle_alpha   60.030
_cell_angle_beta   60.003
_cell_angle_gamma   59.919
_symmetry_Int_Tables_number   1
_cell_volume   261.709
_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  0.876  0.876  1.0
  Mg  Mg1  1  0.124  0.124  0.124  1.0
  Mn  Mn2  1  0.500  0.500  1.000  1.0
  Mn  Mn3  1  1.000  0.500  0.500  1.0
  Mn  Mn4  1  0.500  1.000  0.500  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.738  0.739  0.739  1.0
  S  S7  1  0.271  0.271  0.706  1.0
  S  S8  1  0.272  0.706  0.271  1.0
  S  S9  1  0.706  0.271  0.271  1.0
  S  S10  1  0.728  0.294  0.729  1.0
  S  S11  1  0.294  0.729  0.729  1.0
  S  S12  1  0.262  0.261  0.261  1.0
  S  S13  1  0.729  0.729  0.294  1.0
[/CIF]
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The crystal structure described by Mg2Mn3CoS8 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 Mn(2)S6 octahedra, corners with three equivalent Co(1)S6 octahedra, and corners with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with two equivalent Co(1)S6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Co(1)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. 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 Mn(2)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted corner-sharing SMgMn3 trigonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Co(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Mn(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Mn3CoS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.189
_cell_length_b   7.177
_cell_length_c   7.176
_cell_angle_alpha   60.030
_cell_angle_beta   60.003
_cell_angle_gamma   59.919
_symmetry_Int_Tables_number   1
_cell_volume   261.709
_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  0.876  0.876  1.0
  Mg  Mg1  1  0.124  0.124  0.124  1.0
  Mn  Mn2  1  0.500  0.500  1.000  1.0
  Mn  Mn3  1  1.000  0.500  0.500  1.0
  Mn  Mn4  1  0.500  1.000  0.500  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.738  0.739  0.739  1.0
  S  S7  1  0.271  0.271  0.706  1.0
  S  S8  1  0.272  0.706  0.271  1.0
  S  S9  1  0.706  0.271  0.271  1.0
  S  S10  1  0.728  0.294  0.729  1.0
  S  S11  1  0.294  0.729  0.729  1.0
  S  S12  1  0.262  0.261  0.261  1.0
  S  S13  1  0.729  0.729  0.294  1.0
[/CIF]
.