The material described by MgIn5 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 10-coordinate geometry to one In(3), two equivalent In(1), two equivalent In(2), two equivalent In(4), and three equivalent In(5) atoms. There are five inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent In(3), two equivalent In(5), and three equivalent In(2) atoms. In the second In site, In(2) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent In(3), and three equivalent In(1) atoms. In the third In site, In(3) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent In(1), two equivalent In(2), two equivalent In(3), two equivalent In(5), and three equivalent In(4) atoms. In the fourth In site, In(4) is bonded in a 2-coordinate geometry to two equivalent Mg(1) and three equivalent In(3) atoms. In the fifth In site, In(5) is bonded in a 3-coordinate geometry to three equivalent Mg(1), two equivalent In(1), and two equivalent In(3) atoms. is represented by the CIF card [CIF]
data_MgIn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.141
_cell_length_b   6.141
_cell_length_c   8.119
_cell_angle_alpha   71.512
_cell_angle_beta   71.512
_cell_angle_gamma   33.351
_symmetry_Int_Tables_number   1
_cell_volume   158.847
_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  0.610  0.610  0.278  1.0
  In  In1  1  0.003  0.003  0.008  1.0
  In  In2  1  0.284  0.284  0.944  1.0
  In  In3  1  0.664  0.664  0.671  1.0
  In  In4  1  0.946  0.946  0.600  1.0
  In  In5  1  0.327  0.327  0.331  1.0
[/CIF]
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The material described by MgIn5 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 10-coordinate geometry to one In(3), two equivalent In(1), two equivalent In(2), two equivalent In(4), and three equivalent In(5) atoms. There are five inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent In(3), two equivalent In(5), and three equivalent In(2) atoms. In the second In site, In(2) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent In(3), and three equivalent In(1) atoms. In the third In site, In(3) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent In(1), two equivalent In(2), two equivalent In(3), two equivalent In(5), and three equivalent In(4) atoms. In the fourth In site, In(4) is bonded in a 2-coordinate geometry to two equivalent Mg(1) and three equivalent In(3) atoms. In the fifth In site, In(5) is bonded in a 3-coordinate geometry to three equivalent Mg(1), two equivalent In(1), and two equivalent In(3) atoms. is represented by the CIF card [CIF]
data_MgIn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.141
_cell_length_b   6.141
_cell_length_c   8.119
_cell_angle_alpha   71.512
_cell_angle_beta   71.512
_cell_angle_gamma   33.351
_symmetry_Int_Tables_number   1
_cell_volume   158.847
_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  0.610  0.610  0.278  1.0
  In  In1  1  0.003  0.003  0.008  1.0
  In  In2  1  0.284  0.284  0.944  1.0
  In  In3  1  0.664  0.664  0.671  1.0
  In  In4  1  0.946  0.946  0.600  1.0
  In  In5  1  0.327  0.327  0.331  1.0
[/CIF]
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