The material structure described by MgIn5 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to six equivalent In(1) and six equivalent In(2) atoms to form MgIn12 cuboctahedra that share corners with eighteen equivalent In(1)Mg3In9 cuboctahedra, edges with six equivalent Mg(1)In12 cuboctahedra, faces with two equivalent Mg(1)In12 cuboctahedra, and faces with six equivalent In(1)Mg3In9 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to three equivalent Mg(1), three equivalent In(1), and six equivalent In(2) atoms to form distorted InMg3In9 cuboctahedra that share corners with nine equivalent Mg(1)In12 cuboctahedra, corners with nine equivalent In(1)Mg3In9 cuboctahedra, edges with six equivalent In(1)Mg3In9 cuboctahedra, faces with three equivalent Mg(1)In12 cuboctahedra, and faces with five equivalent In(1)Mg3In9 cuboctahedra. In the second In site, In(2) is bonded in a distorted water-like geometry to two equivalent Mg(1) and four equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgIn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.002
_cell_length_b   6.002
_cell_length_c   4.938
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   154.029
_cell_formula_units_Z   1
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  0.500  1.0
  In  In1  1  0.333  0.667  0.500  1.0
  In  In2  1  0.000  0.678  0.000  1.0
  In  In3  1  0.678  0.000  0.000  1.0
  In  In4  1  0.322  0.322  0.000  1.0
  In  In5  1  0.667  0.333  0.500  1.0
[/CIF]
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The material structure described by MgIn5 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to six equivalent In(1) and six equivalent In(2) atoms to form MgIn12 cuboctahedra that share corners with eighteen equivalent In(1)Mg3In9 cuboctahedra, edges with six equivalent Mg(1)In12 cuboctahedra, faces with two equivalent Mg(1)In12 cuboctahedra, and faces with six equivalent In(1)Mg3In9 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to three equivalent Mg(1), three equivalent In(1), and six equivalent In(2) atoms to form distorted InMg3In9 cuboctahedra that share corners with nine equivalent Mg(1)In12 cuboctahedra, corners with nine equivalent In(1)Mg3In9 cuboctahedra, edges with six equivalent In(1)Mg3In9 cuboctahedra, faces with three equivalent Mg(1)In12 cuboctahedra, and faces with five equivalent In(1)Mg3In9 cuboctahedra. In the second In site, In(2) is bonded in a distorted water-like geometry to two equivalent Mg(1) and four equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgIn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.002
_cell_length_b   6.002
_cell_length_c   4.938
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   154.029
_cell_formula_units_Z   1
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  0.500  1.0
  In  In1  1  0.333  0.667  0.500  1.0
  In  In2  1  0.000  0.678  0.000  1.0
  In  In3  1  0.678  0.000  0.000  1.0
  In  In4  1  0.322  0.322  0.000  1.0
  In  In5  1  0.667  0.333  0.500  1.0
[/CIF]
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