The material described by MgIn2S4 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded to four equivalent S(1) atoms to form distorted MgS4 trigonal pyramids that share corners with eight equivalent In(1)S4 tetrahedra. In(1) is bonded to four equivalent S(1) atoms to form distorted InS4 tetrahedra that share corners with four equivalent In(1)S4 tetrahedra and corners with four equivalent Mg(1)S4 trigonal pyramids. S(1) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(InS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.658
_cell_length_b   7.658
_cell_length_c   7.658
_cell_angle_alpha   108.555
_cell_angle_beta   108.555
_cell_angle_gamma   111.319
_symmetry_Int_Tables_number   1
_cell_volume   345.409
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.250  0.750  0.500  1.0
  In  In2  1  0.741  0.875  0.366  1.0
  In  In3  1  0.125  0.491  0.866  1.0
  In  In4  1  0.509  0.375  0.634  1.0
  In  In5  1  0.625  0.259  0.134  1.0
  S  S6  1  0.362  0.606  0.243  1.0
  S  S7  1  0.394  0.637  0.756  1.0
  S  S8  1  0.363  0.119  0.757  1.0
  S  S9  1  0.881  0.638  0.244  1.0
  S  S10  1  0.887  0.144  0.256  1.0
  S  S11  1  0.369  0.113  0.257  1.0
  S  S12  1  0.888  0.631  0.744  1.0
  S  S13  1  0.856  0.112  0.743  1.0
[/CIF]
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The material described by MgIn2S4 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded to four equivalent S(1) atoms to form distorted MgS4 trigonal pyramids that share corners with eight equivalent In(1)S4 tetrahedra. In(1) is bonded to four equivalent S(1) atoms to form distorted InS4 tetrahedra that share corners with four equivalent In(1)S4 tetrahedra and corners with four equivalent Mg(1)S4 trigonal pyramids. S(1) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(InS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.658
_cell_length_b   7.658
_cell_length_c   7.658
_cell_angle_alpha   108.555
_cell_angle_beta   108.555
_cell_angle_gamma   111.319
_symmetry_Int_Tables_number   1
_cell_volume   345.409
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.250  0.750  0.500  1.0
  In  In2  1  0.741  0.875  0.366  1.0
  In  In3  1  0.125  0.491  0.866  1.0
  In  In4  1  0.509  0.375  0.634  1.0
  In  In5  1  0.625  0.259  0.134  1.0
  S  S6  1  0.362  0.606  0.243  1.0
  S  S7  1  0.394  0.637  0.756  1.0
  S  S8  1  0.363  0.119  0.757  1.0
  S  S9  1  0.881  0.638  0.244  1.0
  S  S10  1  0.887  0.144  0.256  1.0
  S  S11  1  0.369  0.113  0.257  1.0
  S  S12  1  0.888  0.631  0.744  1.0
  S  S13  1  0.856  0.112  0.743  1.0
[/CIF]
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