The crystal structure described by MgIn2 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent In(2), and six equivalent In(1) atoms to form distorted MgMg3In9 cuboctahedra that share corners with nine equivalent Mg(1)Mg3In9 cuboctahedra, edges with six equivalent Mg(1)Mg3In9 cuboctahedra, edges with twelve equivalent In(1)Mg4In8 cuboctahedra, faces with five equivalent Mg(1)Mg3In9 cuboctahedra, and faces with twelve equivalent In(1)Mg4In8 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Mg(1), two equivalent In(2), and six equivalent In(1) atoms to form distorted InMg4In8 cuboctahedra that share corners with eighteen equivalent In(1)Mg4In8 cuboctahedra, edges with six equivalent In(1)Mg4In8 cuboctahedra, edges with eight equivalent Mg(1)Mg3In9 cuboctahedra, faces with eight equivalent Mg(1)Mg3In9 cuboctahedra, and faces with eight equivalent In(1)Mg4In8 cuboctahedra. In the second In site, In(2) is bonded in a distorted hexagonal planar geometry to six equivalent Mg(1) and six equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.538
_cell_length_b   5.538
_cell_length_c   5.529
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   146.830
_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  0.667  0.333  0.000  1.0
  Mg  Mg1  1  0.333  0.667  0.000  1.0
  In  In2  1  0.664  0.000  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  In  In4  1  0.336  0.336  0.500  1.0
  In  In5  1  0.000  0.664  0.500  1.0
[/CIF]
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The crystal structure described by MgIn2 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent In(2), and six equivalent In(1) atoms to form distorted MgMg3In9 cuboctahedra that share corners with nine equivalent Mg(1)Mg3In9 cuboctahedra, edges with six equivalent Mg(1)Mg3In9 cuboctahedra, edges with twelve equivalent In(1)Mg4In8 cuboctahedra, faces with five equivalent Mg(1)Mg3In9 cuboctahedra, and faces with twelve equivalent In(1)Mg4In8 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Mg(1), two equivalent In(2), and six equivalent In(1) atoms to form distorted InMg4In8 cuboctahedra that share corners with eighteen equivalent In(1)Mg4In8 cuboctahedra, edges with six equivalent In(1)Mg4In8 cuboctahedra, edges with eight equivalent Mg(1)Mg3In9 cuboctahedra, faces with eight equivalent Mg(1)Mg3In9 cuboctahedra, and faces with eight equivalent In(1)Mg4In8 cuboctahedra. In the second In site, In(2) is bonded in a distorted hexagonal planar geometry to six equivalent Mg(1) and six equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.538
_cell_length_b   5.538
_cell_length_c   5.529
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   146.830
_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  0.667  0.333  0.000  1.0
  Mg  Mg1  1  0.333  0.667  0.000  1.0
  In  In2  1  0.664  0.000  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  In  In4  1  0.336  0.336  0.500  1.0
  In  In5  1  0.000  0.664  0.500  1.0
[/CIF]
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