The compound described by MgMnAlS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent Mn(1)S6 octahedra and corners with six equivalent Al(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. Mn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Al(1)S6 octahedra. Al(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form AlS6 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. There are two inequivalent S sites. In the first S site, S(1) 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 six equivalent S(1)MgMn2Al trigonal pyramids, corners with six equivalent S(2)MgMnAl2 trigonal pyramids,  an edgeedge with one S(1)MgMn2Al trigonal pyramid, and edges with two equivalent S(2)MgMnAl2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), one Mn(1), and two equivalent Al(1) atoms to form distorted SMgMnAl2 trigonal pyramids that share corners with six equivalent S(1)MgMn2Al trigonal pyramids, corners with six equivalent S(2)MgMnAl2 trigonal pyramids,  an edgeedge with one S(2)MgMnAl2 trigonal pyramid, and edges with two equivalent S(1)MgMn2Al trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnAlS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.277
_cell_length_b   7.247
_cell_length_c   7.248
_cell_angle_alpha   60.596
_cell_angle_beta   59.866
_cell_angle_gamma   59.891
_symmetry_Int_Tables_number   1
_cell_volume   270.984
_cell_formula_units_Z   2
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  0.000  1.0
  Mn  Mn3  1  0.500  1.000  0.500  1.0
  Al  Al4  1  0.500  0.500  0.500  1.0
  Al  Al5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.743  0.736  0.736  1.0
  S  S7  1  0.261  0.265  0.713  1.0
  S  S8  1  0.261  0.713  0.265  1.0
  S  S9  1  0.714  0.264  0.264  1.0
  S  S10  1  0.739  0.287  0.735  1.0
  S  S11  1  0.286  0.736  0.736  1.0
  S  S12  1  0.257  0.264  0.264  1.0
  S  S13  1  0.739  0.735  0.287  1.0
[/CIF]
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The compound described by MgMnAlS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent Mn(1)S6 octahedra and corners with six equivalent Al(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. Mn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Al(1)S6 octahedra. Al(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form AlS6 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. There are two inequivalent S sites. In the first S site, S(1) 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 six equivalent S(1)MgMn2Al trigonal pyramids, corners with six equivalent S(2)MgMnAl2 trigonal pyramids,  an edgeedge with one S(1)MgMn2Al trigonal pyramid, and edges with two equivalent S(2)MgMnAl2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), one Mn(1), and two equivalent Al(1) atoms to form distorted SMgMnAl2 trigonal pyramids that share corners with six equivalent S(1)MgMn2Al trigonal pyramids, corners with six equivalent S(2)MgMnAl2 trigonal pyramids,  an edgeedge with one S(2)MgMnAl2 trigonal pyramid, and edges with two equivalent S(1)MgMn2Al trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnAlS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.277
_cell_length_b   7.247
_cell_length_c   7.248
_cell_angle_alpha   60.596
_cell_angle_beta   59.866
_cell_angle_gamma   59.891
_symmetry_Int_Tables_number   1
_cell_volume   270.984
_cell_formula_units_Z   2
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  0.000  1.0
  Mn  Mn3  1  0.500  1.000  0.500  1.0
  Al  Al4  1  0.500  0.500  0.500  1.0
  Al  Al5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.743  0.736  0.736  1.0
  S  S7  1  0.261  0.265  0.713  1.0
  S  S8  1  0.261  0.713  0.265  1.0
  S  S9  1  0.714  0.264  0.264  1.0
  S  S10  1  0.739  0.287  0.735  1.0
  S  S11  1  0.286  0.736  0.736  1.0
  S  S12  1  0.257  0.264  0.264  1.0
  S  S13  1  0.739  0.735  0.287  1.0
[/CIF]
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