The material structure described by MgMoInS4 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 In(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. 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 In(1)S6 octahedra. In(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form InS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent In(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 in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Mo(1), and one In(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(1), and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_MgInMoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.578
_cell_length_b   7.576
_cell_length_c   7.576
_cell_angle_alpha   59.789
_cell_angle_beta   59.989
_cell_angle_gamma   59.987
_symmetry_Int_Tables_number   1
_cell_volume   307.001
_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  0.874  0.875  0.876  1.0
  Mg  Mg1  1  0.126  0.124  0.125  1.0
  In  In2  1  0.500  0.500  0.500  1.0
  In  In3  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  0.000  0.500  1.0
  S  S6  1  0.726  0.747  0.747  1.0
  S  S7  1  0.266  0.244  0.725  1.0
  S  S8  1  0.266  0.725  0.244  1.0
  S  S9  1  0.719  0.254  0.253  1.0
  S  S10  1  0.734  0.275  0.756  1.0
  S  S11  1  0.281  0.747  0.746  1.0
  S  S12  1  0.274  0.253  0.253  1.0
  S  S13  1  0.734  0.756  0.275  1.0
[/CIF]
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The material structure described by MgMoInS4 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 In(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. 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 In(1)S6 octahedra. In(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form InS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent In(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 in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Mo(1), and one In(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(1), and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_MgInMoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.578
_cell_length_b   7.576
_cell_length_c   7.576
_cell_angle_alpha   59.789
_cell_angle_beta   59.989
_cell_angle_gamma   59.987
_symmetry_Int_Tables_number   1
_cell_volume   307.001
_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  0.874  0.875  0.876  1.0
  Mg  Mg1  1  0.126  0.124  0.125  1.0
  In  In2  1  0.500  0.500  0.500  1.0
  In  In3  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  0.000  0.500  1.0
  S  S6  1  0.726  0.747  0.747  1.0
  S  S7  1  0.266  0.244  0.725  1.0
  S  S8  1  0.266  0.725  0.244  1.0
  S  S9  1  0.719  0.254  0.253  1.0
  S  S10  1  0.734  0.275  0.756  1.0
  S  S11  1  0.281  0.747  0.746  1.0
  S  S12  1  0.274  0.253  0.253  1.0
  S  S13  1  0.734  0.756  0.275  1.0
[/CIF]
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