The material described by Mg2Mn3AlS8 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 Al(1)S6 octahedra and corners with nine equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. Mn(1) 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 Al(1)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. Al(1) is bonded to six equivalent S(2) atoms to form AlS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Mn(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 Mn(1) atoms to form distorted SMgMn3 trigonal pyramids that share corners with three equivalent S(1)MgMn3 trigonal pyramids, corners with nine equivalent S(2)MgMn2Al trigonal pyramids, and edges with three equivalent S(2)MgMn2Al trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent Mn(1), and one Al(1) atom to form distorted SMgMn2Al trigonal pyramids that share corners with three equivalent S(1)MgMn3 trigonal pyramids, corners with nine equivalent S(2)MgMn2Al trigonal pyramids,  an edgeedge with one S(1)MgMn3 trigonal pyramid, and edges with two equivalent S(2)MgMn2Al trigonal pyramids. is represented by the CIF card [CIF]
data_Mg2Mn3AlS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.263
_cell_length_b   7.262
_cell_length_c   7.263
_cell_angle_alpha   60.269
_cell_angle_beta   60.269
_cell_angle_gamma   60.271
_symmetry_Int_Tables_number   1
_cell_volume   272.525
_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
  Mn  Mn2  1  0.500  0.500  1.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Mn  Mn4  1  0.500  1.000  0.500  1.0
  Al  Al5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.739  0.738  0.738  1.0
  S  S7  1  0.264  0.264  0.714  1.0
  S  S8  1  0.264  0.714  0.264  1.0
  S  S9  1  0.714  0.264  0.264  1.0
  S  S10  1  0.736  0.286  0.736  1.0
  S  S11  1  0.286  0.736  0.736  1.0
  S  S12  1  0.261  0.262  0.262  1.0
  S  S13  1  0.736  0.736  0.286  1.0
[/CIF]
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The material described by Mg2Mn3AlS8 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 Al(1)S6 octahedra and corners with nine equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. Mn(1) 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 Al(1)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. Al(1) is bonded to six equivalent S(2) atoms to form AlS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Mn(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 Mn(1) atoms to form distorted SMgMn3 trigonal pyramids that share corners with three equivalent S(1)MgMn3 trigonal pyramids, corners with nine equivalent S(2)MgMn2Al trigonal pyramids, and edges with three equivalent S(2)MgMn2Al trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent Mn(1), and one Al(1) atom to form distorted SMgMn2Al trigonal pyramids that share corners with three equivalent S(1)MgMn3 trigonal pyramids, corners with nine equivalent S(2)MgMn2Al trigonal pyramids,  an edgeedge with one S(1)MgMn3 trigonal pyramid, and edges with two equivalent S(2)MgMn2Al trigonal pyramids. is represented by the CIF card [CIF]
data_Mg2Mn3AlS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.263
_cell_length_b   7.262
_cell_length_c   7.263
_cell_angle_alpha   60.269
_cell_angle_beta   60.269
_cell_angle_gamma   60.271
_symmetry_Int_Tables_number   1
_cell_volume   272.525
_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
  Mn  Mn2  1  0.500  0.500  1.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Mn  Mn4  1  0.500  1.000  0.500  1.0
  Al  Al5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.739  0.738  0.738  1.0
  S  S7  1  0.264  0.264  0.714  1.0
  S  S8  1  0.264  0.714  0.264  1.0
  S  S9  1  0.714  0.264  0.264  1.0
  S  S10  1  0.736  0.286  0.736  1.0
  S  S11  1  0.286  0.736  0.736  1.0
  S  S12  1  0.261  0.262  0.262  1.0
  S  S13  1  0.736  0.736  0.286  1.0
[/CIF]
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