The material structure described by LiMgIn2 crystallizes in the cubic F-43m space group. Li(1) is bonded in a body-centered cubic geometry to four equivalent Mg(1) and four equivalent In(2) atoms. Mg(1) is bonded in a body-centered cubic geometry to four equivalent Li(1) and four equivalent In(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent In(2) atoms. In the second In site, In(2) is bonded to four equivalent Li(1) and four equivalent In(1) atoms to form distorted edge-sharing InLi4In4 tetrahedra. is represented by the CIF card [CIF]
data_LiMgIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.007
_cell_length_b   5.007
_cell_length_c   5.007
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   88.777
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.250  0.250  0.250  1.0
  In  In2  1  0.000  0.000  0.000  1.0
  In  In3  1  0.750  0.750  0.750  1.0
[/CIF]
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The material structure described by LiMgIn2 crystallizes in the cubic F-43m space group. Li(1) is bonded in a body-centered cubic geometry to four equivalent Mg(1) and four equivalent In(2) atoms. Mg(1) is bonded in a body-centered cubic geometry to four equivalent Li(1) and four equivalent In(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent In(2) atoms. In the second In site, In(2) is bonded to four equivalent Li(1) and four equivalent In(1) atoms to form distorted edge-sharing InLi4In4 tetrahedra. is represented by the CIF card [CIF]
data_LiMgIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.007
_cell_length_b   5.007
_cell_length_c   5.007
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   88.777
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.250  0.250  0.250  1.0
  In  In2  1  0.000  0.000  0.000  1.0
  In  In3  1  0.750  0.750  0.750  1.0
[/CIF]
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