The material described by Mg3Au 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 four equivalent Au(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Au(1) atoms. In the third Mg site, Mg(3) is bonded in a trigonal planar geometry to three equivalent Au(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted trigonal planar geometry to three equivalent Au(1) atoms. Au(1) is bonded in a 10-coordinate geometry to one Mg(2), two equivalent Mg(3), three equivalent Mg(4), and four equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.028
_cell_length_b   8.028
_cell_length_c   8.509
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   474.947
_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  0.375  0.000  0.926  1.0
  Mg  Mg1  1  0.375  0.375  0.426  1.0
  Mg  Mg2  1  0.000  0.625  0.426  1.0
  Mg  Mg3  1  0.000  0.375  0.926  1.0
  Mg  Mg4  1  0.625  0.625  0.926  1.0
  Mg  Mg5  1  0.625  0.000  0.426  1.0
  Mg  Mg6  1  0.000  0.000  0.324  1.0
  Mg  Mg7  1  0.000  0.000  0.824  1.0
  Mg  Mg8  1  0.333  0.667  0.206  1.0
  Mg  Mg9  1  0.667  0.333  0.706  1.0
  Mg  Mg10  1  0.333  0.667  0.706  1.0
  Mg  Mg11  1  0.667  0.333  0.206  1.0
  Mg  Mg12  1  0.721  0.000  0.083  1.0
  Mg  Mg13  1  0.721  0.721  0.583  1.0
  Mg  Mg14  1  0.000  0.279  0.583  1.0
  Mg  Mg15  1  0.000  0.721  0.083  1.0
  Mg  Mg16  1  0.279  0.279  0.083  1.0
  Mg  Mg17  1  0.279  0.000  0.583  1.0
  Au  Au18  1  0.329  0.000  0.254  1.0
  Au  Au19  1  0.329  0.329  0.754  1.0
  Au  Au20  1  0.000  0.671  0.754  1.0
  Au  Au21  1  0.000  0.329  0.254  1.0
  Au  Au22  1  0.671  0.671  0.254  1.0
  Au  Au23  1  0.671  0.000  0.754  1.0
[/CIF]
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The material described by Mg3Au 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 four equivalent Au(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Au(1) atoms. In the third Mg site, Mg(3) is bonded in a trigonal planar geometry to three equivalent Au(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted trigonal planar geometry to three equivalent Au(1) atoms. Au(1) is bonded in a 10-coordinate geometry to one Mg(2), two equivalent Mg(3), three equivalent Mg(4), and four equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.028
_cell_length_b   8.028
_cell_length_c   8.509
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   474.947
_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  0.375  0.000  0.926  1.0
  Mg  Mg1  1  0.375  0.375  0.426  1.0
  Mg  Mg2  1  0.000  0.625  0.426  1.0
  Mg  Mg3  1  0.000  0.375  0.926  1.0
  Mg  Mg4  1  0.625  0.625  0.926  1.0
  Mg  Mg5  1  0.625  0.000  0.426  1.0
  Mg  Mg6  1  0.000  0.000  0.324  1.0
  Mg  Mg7  1  0.000  0.000  0.824  1.0
  Mg  Mg8  1  0.333  0.667  0.206  1.0
  Mg  Mg9  1  0.667  0.333  0.706  1.0
  Mg  Mg10  1  0.333  0.667  0.706  1.0
  Mg  Mg11  1  0.667  0.333  0.206  1.0
  Mg  Mg12  1  0.721  0.000  0.083  1.0
  Mg  Mg13  1  0.721  0.721  0.583  1.0
  Mg  Mg14  1  0.000  0.279  0.583  1.0
  Mg  Mg15  1  0.000  0.721  0.083  1.0
  Mg  Mg16  1  0.279  0.279  0.083  1.0
  Mg  Mg17  1  0.279  0.000  0.583  1.0
  Au  Au18  1  0.329  0.000  0.254  1.0
  Au  Au19  1  0.329  0.329  0.754  1.0
  Au  Au20  1  0.000  0.671  0.754  1.0
  Au  Au21  1  0.000  0.329  0.254  1.0
  Au  Au22  1  0.671  0.671  0.254  1.0
  Au  Au23  1  0.671  0.000  0.754  1.0
[/CIF]
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