The structure described by MgMoAlS4 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 Mo(1)S6 octahedra and corners with six equivalent Al(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. Mo(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mo(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 Mo(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), two equivalent Mo(1), and one Al(1) atom to form a mixture of distorted edge and corner-sharing SMgAlMo2 trigonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mo(1), and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_MgAlMoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.270
_cell_length_b   7.341
_cell_length_c   7.341
_cell_angle_alpha   60.713
_cell_angle_beta   60.318
_cell_angle_gamma   60.319
_symmetry_Int_Tables_number   1
_cell_volume   279.851
_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  0.873  0.877  0.877  1.0
  Mg  Mg1  1  0.127  0.123  0.123  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  1.000  0.500  0.500  1.0
  Mo  Mo4  1  0.500  0.500  1.000  1.0
  Mo  Mo5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.747  0.734  0.734  1.0
  S  S7  1  0.258  0.269  0.714  1.0
  S  S8  1  0.258  0.714  0.269  1.0
  S  S9  1  0.715  0.266  0.266  1.0
  S  S10  1  0.742  0.286  0.731  1.0
  S  S11  1  0.285  0.734  0.734  1.0
  S  S12  1  0.253  0.266  0.266  1.0
  S  S13  1  0.742  0.731  0.286  1.0
[/CIF]
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The structure described by MgMoAlS4 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 Mo(1)S6 octahedra and corners with six equivalent Al(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. Mo(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mo(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 Mo(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), two equivalent Mo(1), and one Al(1) atom to form a mixture of distorted edge and corner-sharing SMgAlMo2 trigonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mo(1), and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_MgAlMoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.270
_cell_length_b   7.341
_cell_length_c   7.341
_cell_angle_alpha   60.713
_cell_angle_beta   60.318
_cell_angle_gamma   60.319
_symmetry_Int_Tables_number   1
_cell_volume   279.851
_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  0.873  0.877  0.877  1.0
  Mg  Mg1  1  0.127  0.123  0.123  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  1.000  0.500  0.500  1.0
  Mo  Mo4  1  0.500  0.500  1.000  1.0
  Mo  Mo5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.747  0.734  0.734  1.0
  S  S7  1  0.258  0.269  0.714  1.0
  S  S8  1  0.258  0.714  0.269  1.0
  S  S9  1  0.715  0.266  0.266  1.0
  S  S10  1  0.742  0.286  0.731  1.0
  S  S11  1  0.285  0.734  0.734  1.0
  S  S12  1  0.253  0.266  0.266  1.0
  S  S13  1  0.742  0.731  0.286  1.0
[/CIF]
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