The structure described by Mg3Ir crystallizes in the hexagonal P6_3cm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Ir(1) atoms. In the second Mg site, Mg(2) is bonded in a trigonal planar geometry to three equivalent Ir(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted trigonal planar geometry to three equivalent Ir(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted trigonal planar geometry to three equivalent Ir(1) atoms. Ir(1) is bonded in a 8-coordinate geometry to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and three equivalent Mg(4) atoms. is represented by the CIF card [CIF]
data_Mg3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.858
_cell_length_b   7.858
_cell_length_c   8.172
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   436.996
_cell_formula_units_Z   6
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  0.370  0.000  0.911  1.0
  Mg  Mg1  1  0.333  0.667  0.700  1.0
  Mg  Mg2  1  0.000  0.000  0.807  1.0
  Mg  Mg3  1  0.000  0.370  0.911  1.0
  Mg  Mg4  1  0.667  0.333  0.200  1.0
  Mg  Mg5  1  0.711  0.000  0.071  1.0
  Mg  Mg6  1  0.630  0.630  0.911  1.0
  Mg  Mg7  1  0.333  0.667  0.200  1.0
  Mg  Mg8  1  0.370  0.370  0.411  1.0
  Mg  Mg9  1  0.289  0.000  0.571  1.0
  Mg  Mg10  1  0.630  0.000  0.411  1.0
  Mg  Mg11  1  0.289  0.289  0.071  1.0
  Mg  Mg12  1  0.000  0.711  0.071  1.0
  Mg  Mg13  1  0.000  0.289  0.571  1.0
  Mg  Mg14  1  0.711  0.711  0.571  1.0
  Mg  Mg15  1  0.000  0.630  0.411  1.0
  Mg  Mg16  1  0.000  0.000  0.307  1.0
  Mg  Mg17  1  0.667  0.333  0.700  1.0
  Ir  Ir18  1  0.329  0.329  0.740  1.0
  Ir  Ir19  1  0.671  0.671  0.240  1.0
  Ir  Ir20  1  0.329  0.000  0.240  1.0
  Ir  Ir21  1  0.671  0.000  0.740  1.0
  Ir  Ir22  1  0.000  0.671  0.740  1.0
  Ir  Ir23  1  0.000  0.329  0.240  1.0
[/CIF]
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The structure described by Mg3Ir crystallizes in the hexagonal P6_3cm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Ir(1) atoms. In the second Mg site, Mg(2) is bonded in a trigonal planar geometry to three equivalent Ir(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted trigonal planar geometry to three equivalent Ir(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted trigonal planar geometry to three equivalent Ir(1) atoms. Ir(1) is bonded in a 8-coordinate geometry to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and three equivalent Mg(4) atoms. is represented by the CIF card [CIF]
data_Mg3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.858
_cell_length_b   7.858
_cell_length_c   8.172
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   436.996
_cell_formula_units_Z   6
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  0.370  0.000  0.911  1.0
  Mg  Mg1  1  0.333  0.667  0.700  1.0
  Mg  Mg2  1  0.000  0.000  0.807  1.0
  Mg  Mg3  1  0.000  0.370  0.911  1.0
  Mg  Mg4  1  0.667  0.333  0.200  1.0
  Mg  Mg5  1  0.711  0.000  0.071  1.0
  Mg  Mg6  1  0.630  0.630  0.911  1.0
  Mg  Mg7  1  0.333  0.667  0.200  1.0
  Mg  Mg8  1  0.370  0.370  0.411  1.0
  Mg  Mg9  1  0.289  0.000  0.571  1.0
  Mg  Mg10  1  0.630  0.000  0.411  1.0
  Mg  Mg11  1  0.289  0.289  0.071  1.0
  Mg  Mg12  1  0.000  0.711  0.071  1.0
  Mg  Mg13  1  0.000  0.289  0.571  1.0
  Mg  Mg14  1  0.711  0.711  0.571  1.0
  Mg  Mg15  1  0.000  0.630  0.411  1.0
  Mg  Mg16  1  0.000  0.000  0.307  1.0
  Mg  Mg17  1  0.667  0.333  0.700  1.0
  Ir  Ir18  1  0.329  0.329  0.740  1.0
  Ir  Ir19  1  0.671  0.671  0.240  1.0
  Ir  Ir20  1  0.329  0.000  0.240  1.0
  Ir  Ir21  1  0.671  0.000  0.740  1.0
  Ir  Ir22  1  0.000  0.671  0.740  1.0
  Ir  Ir23  1  0.000  0.329  0.240  1.0
[/CIF]
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