The material structure described by Mg2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to five equivalent Au(1) atoms. In the second Mg site, Mg(2) is bonded to four equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing MgAu4 tetrahedra. Au(1) is bonded in a 9-coordinate geometry to four equivalent Mg(2) and five equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_Mg2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.338
_cell_length_b   6.198
_cell_length_c   8.500
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.519
_cell_formula_units_Z   4
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  0.959  0.694  1.0
  Mg  Mg1  1  0.750  0.041  0.306  1.0
  Mg  Mg2  1  0.250  0.459  0.806  1.0
  Mg  Mg3  1  0.750  0.541  0.194  1.0
  Mg  Mg4  1  0.750  0.166  0.940  1.0
  Mg  Mg5  1  0.250  0.834  0.060  1.0
  Mg  Mg6  1  0.750  0.666  0.560  1.0
  Mg  Mg7  1  0.250  0.334  0.440  1.0
  Au  Au8  1  0.250  0.768  0.378  1.0
  Au  Au9  1  0.750  0.232  0.622  1.0
  Au  Au10  1  0.250  0.268  0.122  1.0
  Au  Au11  1  0.750  0.732  0.878  1.0
[/CIF]
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The material structure described by Mg2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to five equivalent Au(1) atoms. In the second Mg site, Mg(2) is bonded to four equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing MgAu4 tetrahedra. Au(1) is bonded in a 9-coordinate geometry to four equivalent Mg(2) and five equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_Mg2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.338
_cell_length_b   6.198
_cell_length_c   8.500
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.519
_cell_formula_units_Z   4
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  0.959  0.694  1.0
  Mg  Mg1  1  0.750  0.041  0.306  1.0
  Mg  Mg2  1  0.250  0.459  0.806  1.0
  Mg  Mg3  1  0.750  0.541  0.194  1.0
  Mg  Mg4  1  0.750  0.166  0.940  1.0
  Mg  Mg5  1  0.250  0.834  0.060  1.0
  Mg  Mg6  1  0.750  0.666  0.560  1.0
  Mg  Mg7  1  0.250  0.334  0.440  1.0
  Au  Au8  1  0.250  0.768  0.378  1.0
  Au  Au9  1  0.750  0.232  0.622  1.0
  Au  Au10  1  0.250  0.268  0.122  1.0
  Au  Au11  1  0.750  0.732  0.878  1.0
[/CIF]
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