The material structure described by MgIn2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent In(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent In(2)O6 octahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form InO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra and corners with six equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the second In site, In(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form InO6 octahedra that share corners with six equivalent In(1)O4 tetrahedra, edges with two equivalent In(2)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one In(1), and one In(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one In(1), and two equivalent In(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgIn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.361
_cell_length_b   6.361
_cell_length_c   6.361
_cell_angle_alpha   120.340
_cell_angle_beta   119.201
_cell_angle_gamma   90.401
_symmetry_Int_Tables_number   1
_cell_volume   182.588
_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  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.000  1.0
  In  In2  1  0.881  0.131  0.750  1.0
  In  In3  1  0.119  0.869  0.250  1.0
  In  In4  1  0.000  0.500  0.500  1.0
  In  In5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.267  0.743  0.524  1.0
  O  O7  1  0.719  0.743  0.976  1.0
  O  O8  1  0.263  0.277  0.514  1.0
  O  O9  1  0.737  0.251  0.014  1.0
  O  O10  1  0.263  0.749  0.986  1.0
  O  O11  1  0.737  0.723  0.486  1.0
  O  O12  1  0.281  0.257  0.024  1.0
  O  O13  1  0.733  0.257  0.476  1.0
[/CIF]
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The material structure described by MgIn2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent In(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent In(2)O6 octahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form InO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra and corners with six equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the second In site, In(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form InO6 octahedra that share corners with six equivalent In(1)O4 tetrahedra, edges with two equivalent In(2)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one In(1), and one In(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one In(1), and two equivalent In(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgIn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.361
_cell_length_b   6.361
_cell_length_c   6.361
_cell_angle_alpha   120.340
_cell_angle_beta   119.201
_cell_angle_gamma   90.401
_symmetry_Int_Tables_number   1
_cell_volume   182.588
_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  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.000  1.0
  In  In2  1  0.881  0.131  0.750  1.0
  In  In3  1  0.119  0.869  0.250  1.0
  In  In4  1  0.000  0.500  0.500  1.0
  In  In5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.267  0.743  0.524  1.0
  O  O7  1  0.719  0.743  0.976  1.0
  O  O8  1  0.263  0.277  0.514  1.0
  O  O9  1  0.737  0.251  0.014  1.0
  O  O10  1  0.263  0.749  0.986  1.0
  O  O11  1  0.737  0.723  0.486  1.0
  O  O12  1  0.281  0.257  0.024  1.0
  O  O13  1  0.733  0.257  0.476  1.0
[/CIF]
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