The material structure described by Mg5In crystallizes in the trigonal R32 space group. There are nine inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four Mg(2,2); six Mg(1,1); and two equivalent In(1) atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen Mg(1,1,1,1,1)Mg10In2 cuboctahedra; edges with four equivalent In(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10In2 cuboctahedra; edges with eight Mg(2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10In2 cuboctahedra; and faces with eight Mg(2,2)Mg9In3 cuboctahedra. In the second Mg site, Mg(1) is bonded to four Mg(2,2); six Mg(1,1); and two equivalent In(1) atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen Mg(1,1,1,1)Mg10In2 cuboctahedra; edges with four equivalent In(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10In2 cuboctahedra; edges with eight Mg(2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; faces with eight Mg(1,1,1,1)Mg10In2 cuboctahedra; and faces with eight Mg(2,2)Mg9In3 cuboctahedra. In the third Mg site, Mg(1) is bonded to four Mg(2,2); six Mg(1,1); and two equivalent In(1) atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen Mg(1,1,1,1,1)Mg10In2 cuboctahedra; edges with four equivalent In(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10In2 cuboctahedra; edges with eight Mg(2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; faces with eight Mg(1,1,1)Mg10In2 cuboctahedra; and faces with eight Mg(2,2)Mg9In3 cuboctahedra. In the fourth Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1,1,1); and three equivalent In(1) atoms to form distorted MgMg9In3 cuboctahedra that share corners with six equivalent In(1)Mg12 cuboctahedra; corners with twelve Mg(2,2)Mg9In3 cuboctahedra; edges with six equivalent Mg(2)Mg9In3 cuboctahedra; edges with twelve Mg(1,1,1,1)Mg10In2 cuboctahedra; faces with four Mg(2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1,1,1)Mg10In2 cuboctahedra. In the fifth Mg site, Mg(1) is bonded to four Mg(2,2,2); six Mg(1,1); and two equivalent In(1) atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen Mg(1,1,1,1)Mg10In2 cuboctahedra; edges with four equivalent In(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10In2 cuboctahedra; edges with eight Mg(2,2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; faces with eight Mg(1,1,1)Mg10In2 cuboctahedra; and faces with eight Mg(2,2,2)Mg9In3 cuboctahedra. In the sixth Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1,1,1,1); and three equivalent In(1) atoms to form distorted MgMg9In3 cuboctahedra that share corners with six equivalent In(1)Mg12 cuboctahedra; corners with twelve Mg(2,2,2)Mg9In3 cuboctahedra; edges with six equivalent Mg(2)Mg9In3 cuboctahedra; edges with twelve Mg(1,1,1,1,1)Mg10In2 cuboctahedra; faces with four Mg(2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1,1,1,1)Mg10In2 cuboctahedra. In the seventh Mg site, Mg(1) is bonded to four Mg(2,2,2); six Mg(1,1); and two equivalent In(1) atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen Mg(1,1,1,1,1)Mg10In2 cuboctahedra; edges with four equivalent In(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10In2 cuboctahedra; edges with eight Mg(2,2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; faces with eight Mg(1,1,1)Mg10In2 cuboctahedra; and faces with eight Mg(2,2,2)Mg9In3 cuboctahedra. In the eighth Mg site, Mg(1) is bonded to four Mg(2,2,2); six Mg(1,1); and two equivalent In(1) atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen Mg(1,1,1,1)Mg10In2 cuboctahedra; edges with four equivalent In(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10In2 cuboctahedra; edges with eight Mg(2,2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; faces with eight Mg(1,1,1)Mg10In2 cuboctahedra; and faces with eight Mg(2,2,2)Mg9In3 cuboctahedra. In the ninth Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1,1,1,1); and three equivalent In(1) atoms to form distorted MgMg9In3 cuboctahedra that share corners with six equivalent In(1)Mg12 cuboctahedra; corners with twelve Mg(2,2)Mg9In3 cuboctahedra; edges with six equivalent Mg(2)Mg9In3 cuboctahedra; edges with twelve Mg(1,1,1,1,1)Mg10In2 cuboctahedra; faces with four Mg(2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1,1,1,1)Mg10In2 cuboctahedra. In(1) is bonded to six Mg(1,1,1,1,1) and six Mg(2,2) atoms to form InMg12 cuboctahedra that share corners with six equivalent In(1)Mg12 cuboctahedra; corners with twelve Mg(2,2)Mg9In3 cuboctahedra; edges with six equivalent In(1)Mg12 cuboctahedra; edges with twelve Mg(1,1,1,1,1)Mg10In2 cuboctahedra; faces with eight Mg(2,2,2)Mg9In3 cuboctahedra; and faces with twelve Mg(1,1,1,1,1)Mg10In2 cuboctahedra. is represented by the CIF file [CIF]
data_Mg5In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.062
_cell_length_b   6.062
_cell_length_c   6.062
_cell_angle_alpha   53.716
_cell_angle_beta   53.716
_cell_angle_gamma   53.716
_symmetry_Int_Tables_number   1
_cell_volume   134.376
_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  0.500  0.166  0.834  1.0
  Mg  Mg1  1  0.166  0.834  0.500  1.0
  Mg  Mg2  1  0.834  0.500  0.166  1.0
  Mg  Mg3  1  0.333  0.333  0.333  1.0
  Mg  Mg4  1  0.667  0.667  0.667  1.0
  In  In5  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material structure described by Mg5In crystallizes in the trigonal R32 space group. There are nine inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four Mg(2,2); six Mg(1,1); and two equivalent In(1) atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen Mg(1,1,1,1,1)Mg10In2 cuboctahedra; edges with four equivalent In(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10In2 cuboctahedra; edges with eight Mg(2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10In2 cuboctahedra; and faces with eight Mg(2,2)Mg9In3 cuboctahedra. In the second Mg site, Mg(1) is bonded to four Mg(2,2); six Mg(1,1); and two equivalent In(1) atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen Mg(1,1,1,1)Mg10In2 cuboctahedra; edges with four equivalent In(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10In2 cuboctahedra; edges with eight Mg(2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; faces with eight Mg(1,1,1,1)Mg10In2 cuboctahedra; and faces with eight Mg(2,2)Mg9In3 cuboctahedra. In the third Mg site, Mg(1) is bonded to four Mg(2,2); six Mg(1,1); and two equivalent In(1) atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen Mg(1,1,1,1,1)Mg10In2 cuboctahedra; edges with four equivalent In(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10In2 cuboctahedra; edges with eight Mg(2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; faces with eight Mg(1,1,1)Mg10In2 cuboctahedra; and faces with eight Mg(2,2)Mg9In3 cuboctahedra. In the fourth Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1,1,1); and three equivalent In(1) atoms to form distorted MgMg9In3 cuboctahedra that share corners with six equivalent In(1)Mg12 cuboctahedra; corners with twelve Mg(2,2)Mg9In3 cuboctahedra; edges with six equivalent Mg(2)Mg9In3 cuboctahedra; edges with twelve Mg(1,1,1,1)Mg10In2 cuboctahedra; faces with four Mg(2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1,1,1)Mg10In2 cuboctahedra. In the fifth Mg site, Mg(1) is bonded to four Mg(2,2,2); six Mg(1,1); and two equivalent In(1) atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen Mg(1,1,1,1)Mg10In2 cuboctahedra; edges with four equivalent In(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10In2 cuboctahedra; edges with eight Mg(2,2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; faces with eight Mg(1,1,1)Mg10In2 cuboctahedra; and faces with eight Mg(2,2,2)Mg9In3 cuboctahedra. In the sixth Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1,1,1,1); and three equivalent In(1) atoms to form distorted MgMg9In3 cuboctahedra that share corners with six equivalent In(1)Mg12 cuboctahedra; corners with twelve Mg(2,2,2)Mg9In3 cuboctahedra; edges with six equivalent Mg(2)Mg9In3 cuboctahedra; edges with twelve Mg(1,1,1,1,1)Mg10In2 cuboctahedra; faces with four Mg(2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1,1,1,1)Mg10In2 cuboctahedra. In the seventh Mg site, Mg(1) is bonded to four Mg(2,2,2); six Mg(1,1); and two equivalent In(1) atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen Mg(1,1,1,1,1)Mg10In2 cuboctahedra; edges with four equivalent In(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10In2 cuboctahedra; edges with eight Mg(2,2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; faces with eight Mg(1,1,1)Mg10In2 cuboctahedra; and faces with eight Mg(2,2,2)Mg9In3 cuboctahedra. In the eighth Mg site, Mg(1) is bonded to four Mg(2,2,2); six Mg(1,1); and two equivalent In(1) atoms to form distorted MgMg10In2 cuboctahedra that share corners with eighteen Mg(1,1,1,1)Mg10In2 cuboctahedra; edges with four equivalent In(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10In2 cuboctahedra; edges with eight Mg(2,2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; faces with eight Mg(1,1,1)Mg10In2 cuboctahedra; and faces with eight Mg(2,2,2)Mg9In3 cuboctahedra. In the ninth Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1,1,1,1); and three equivalent In(1) atoms to form distorted MgMg9In3 cuboctahedra that share corners with six equivalent In(1)Mg12 cuboctahedra; corners with twelve Mg(2,2)Mg9In3 cuboctahedra; edges with six equivalent Mg(2)Mg9In3 cuboctahedra; edges with twelve Mg(1,1,1,1,1)Mg10In2 cuboctahedra; faces with four Mg(2,2)Mg9In3 cuboctahedra; faces with four equivalent In(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1,1,1,1)Mg10In2 cuboctahedra. In(1) is bonded to six Mg(1,1,1,1,1) and six Mg(2,2) atoms to form InMg12 cuboctahedra that share corners with six equivalent In(1)Mg12 cuboctahedra; corners with twelve Mg(2,2)Mg9In3 cuboctahedra; edges with six equivalent In(1)Mg12 cuboctahedra; edges with twelve Mg(1,1,1,1,1)Mg10In2 cuboctahedra; faces with eight Mg(2,2,2)Mg9In3 cuboctahedra; and faces with twelve Mg(1,1,1,1,1)Mg10In2 cuboctahedra. is represented by the CIF file [CIF]
data_Mg5In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.062
_cell_length_b   6.062
_cell_length_c   6.062
_cell_angle_alpha   53.716
_cell_angle_beta   53.716
_cell_angle_gamma   53.716
_symmetry_Int_Tables_number   1
_cell_volume   134.376
_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  0.500  0.166  0.834  1.0
  Mg  Mg1  1  0.166  0.834  0.500  1.0
  Mg  Mg2  1  0.834  0.500  0.166  1.0
  Mg  Mg3  1  0.333  0.333  0.333  1.0
  Mg  Mg4  1  0.667  0.667  0.667  1.0
  In  In5  1  0.000  0.000  0.000  1.0
[/CIF]
.