The crystal structure described by Mg3In crystallizes in the trigonal R-3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent Mg(2), six equivalent Mg(1), and three equivalent In(1) atoms to form distorted MgMg9In3 cuboctahedra that share corners with six equivalent In(1)Mg6 cuboctahedra, corners with twelve equivalent Mg(1)Mg9In3 cuboctahedra, edges with six equivalent Mg(2)Mg12 cuboctahedra, edges with six equivalent In(1)Mg6 cuboctahedra, edges with twelve equivalent Mg(1)Mg9In3 cuboctahedra, faces with six equivalent Mg(2)Mg12 cuboctahedra, and faces with six equivalent Mg(1)Mg9In3 cuboctahedra. In the second Mg site, Mg(2) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent In(1)Mg6 cuboctahedra, edges with six equivalent Mg(2)Mg12 cuboctahedra, edges with six equivalent In(1)Mg6 cuboctahedra, edges with twelve equivalent Mg(1)Mg9In3 cuboctahedra, faces with six equivalent Mg(2)Mg12 cuboctahedra, and faces with twelve equivalent Mg(1)Mg9In3 cuboctahedra. In(1) is bonded to six equivalent Mg(1) atoms to form distorted InMg6 cuboctahedra that share corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Mg9In3 cuboctahedra, edges with six equivalent Mg(2)Mg12 cuboctahedra, edges with six equivalent In(1)Mg6 cuboctahedra, and edges with twelve equivalent Mg(1)Mg9In3 cuboctahedra. is represented by the CIF card [CIF]
data_Mg3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.139
_cell_length_b   10.139
_cell_length_c   10.139
_cell_angle_alpha   18.819
_cell_angle_beta   18.819
_cell_angle_gamma   18.819
_symmetry_Int_Tables_number   1
_cell_volume   94.781
_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  0.250  0.250  0.250  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Mg  Mg2  1  0.750  0.750  0.750  1.0
  In  In3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Mg3In crystallizes in the trigonal R-3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent Mg(2), six equivalent Mg(1), and three equivalent In(1) atoms to form distorted MgMg9In3 cuboctahedra that share corners with six equivalent In(1)Mg6 cuboctahedra, corners with twelve equivalent Mg(1)Mg9In3 cuboctahedra, edges with six equivalent Mg(2)Mg12 cuboctahedra, edges with six equivalent In(1)Mg6 cuboctahedra, edges with twelve equivalent Mg(1)Mg9In3 cuboctahedra, faces with six equivalent Mg(2)Mg12 cuboctahedra, and faces with six equivalent Mg(1)Mg9In3 cuboctahedra. In the second Mg site, Mg(2) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent In(1)Mg6 cuboctahedra, edges with six equivalent Mg(2)Mg12 cuboctahedra, edges with six equivalent In(1)Mg6 cuboctahedra, edges with twelve equivalent Mg(1)Mg9In3 cuboctahedra, faces with six equivalent Mg(2)Mg12 cuboctahedra, and faces with twelve equivalent Mg(1)Mg9In3 cuboctahedra. In(1) is bonded to six equivalent Mg(1) atoms to form distorted InMg6 cuboctahedra that share corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Mg9In3 cuboctahedra, edges with six equivalent Mg(2)Mg12 cuboctahedra, edges with six equivalent In(1)Mg6 cuboctahedra, and edges with twelve equivalent Mg(1)Mg9In3 cuboctahedra. is represented by the CIF card [CIF]
data_Mg3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.139
_cell_length_b   10.139
_cell_length_c   10.139
_cell_angle_alpha   18.819
_cell_angle_beta   18.819
_cell_angle_gamma   18.819
_symmetry_Int_Tables_number   1
_cell_volume   94.781
_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  0.250  0.250  0.250  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Mg  Mg2  1  0.750  0.750  0.750  1.0
  In  In3  1  0.000  0.000  0.000  1.0
[/CIF]
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