The material described by MgAu3 is Uranium Silicide-like structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Au(6), one Au(7), two equivalent Au(1), two equivalent Au(2), two equivalent Au(3), two equivalent Au(4), and two equivalent Au(5) atoms to form a mixture of face, corner, and edge-sharing MgAu12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Au(2), two equivalent Au(3), two equivalent Au(4), two equivalent Au(7), and four equivalent Au(1) atoms to form a mixture of face, corner, and edge-sharing MgAu12 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Au(2), two equivalent Au(3), two equivalent Au(4), two equivalent Au(6), and four equivalent Au(5) atoms to form a mixture of face, corner, and edge-sharing MgAu12 cuboctahedra. There are seven inequivalent Au sites. In the first Au site, Au(5) is bonded in a distorted square co-planar geometry to two equivalent Mg(1) and two equivalent Mg(3) atoms. In the second Au site, Au(6) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Mg(3) atoms. In the third Au site, Au(7) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Mg(2) atoms. In the fourth Au site, Au(1) is bonded to two equivalent Mg(1) and two equivalent Mg(2) atoms to form a mixture of distorted corner and edge-sharing AuMg4 cuboctahedra. In the fifth Au site, Au(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one Mg(3), and two equivalent Mg(1) atoms. In the sixth Au site, Au(3) is bonded in a distorted see-saw-like geometry to one Mg(2), one Mg(3), and two equivalent Mg(1) atoms. In the seventh Au site, Au(4) is bonded in a 4-coordinate geometry to one Mg(2), one Mg(3), and two equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_MgAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.758
_cell_length_b   9.520
_cell_length_c   10.481
_cell_angle_alpha   90.000
_cell_angle_beta   105.945
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   552.409
_cell_formula_units_Z   8
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  0.876  0.501  0.752  1.0
  Mg  Mg1  1  0.124  0.499  0.248  1.0
  Mg  Mg2  1  0.124  0.001  0.248  1.0
  Mg  Mg3  1  0.876  0.999  0.752  1.0
  Mg  Mg4  1  0.541  0.750  0.081  1.0
  Mg  Mg5  1  0.459  0.250  0.919  1.0
  Mg  Mg6  1  0.294  0.750  0.587  1.0
  Mg  Mg7  1  0.706  0.250  0.413  1.0
  Au  Au8  1  0.252  0.000  0.000  1.0
  Au  Au9  1  0.748  0.500  0.000  1.0
  Au  Au10  1  0.748  0.000  0.000  1.0
  Au  Au11  1  0.252  0.500  0.000  1.0
  Au  Au12  1  0.626  0.999  0.252  1.0
  Au  Au13  1  0.374  0.001  0.748  1.0
  Au  Au14  1  0.374  0.499  0.748  1.0
  Au  Au15  1  0.626  0.501  0.252  1.0
  Au  Au16  1  0.081  0.250  0.666  1.0
  Au  Au17  1  0.415  0.750  0.334  1.0
  Au  Au18  1  0.919  0.750  0.334  1.0
  Au  Au19  1  0.585  0.250  0.666  1.0
  Au  Au20  1  0.333  0.250  0.166  1.0
  Au  Au21  1  0.167  0.750  0.834  1.0
  Au  Au22  1  0.667  0.750  0.834  1.0
  Au  Au23  1  0.833  0.250  0.166  1.0
  Au  Au24  1  0.500  0.500  0.500  1.0
  Au  Au25  1  0.000  0.500  0.500  1.0
  Au  Au26  1  0.500  0.000  0.500  1.0
  Au  Au27  1  0.000  0.000  0.500  1.0
  Au  Au28  1  0.792  0.750  0.584  1.0
  Au  Au29  1  0.208  0.250  0.416  1.0
  Au  Au30  1  0.045  0.750  0.089  1.0
  Au  Au31  1  0.955  0.250  0.911  1.0
[/CIF]
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The material described by MgAu3 is Uranium Silicide-like structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Au(6), one Au(7), two equivalent Au(1), two equivalent Au(2), two equivalent Au(3), two equivalent Au(4), and two equivalent Au(5) atoms to form a mixture of face, corner, and edge-sharing MgAu12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Au(2), two equivalent Au(3), two equivalent Au(4), two equivalent Au(7), and four equivalent Au(1) atoms to form a mixture of face, corner, and edge-sharing MgAu12 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Au(2), two equivalent Au(3), two equivalent Au(4), two equivalent Au(6), and four equivalent Au(5) atoms to form a mixture of face, corner, and edge-sharing MgAu12 cuboctahedra. There are seven inequivalent Au sites. In the first Au site, Au(5) is bonded in a distorted square co-planar geometry to two equivalent Mg(1) and two equivalent Mg(3) atoms. In the second Au site, Au(6) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Mg(3) atoms. In the third Au site, Au(7) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Mg(2) atoms. In the fourth Au site, Au(1) is bonded to two equivalent Mg(1) and two equivalent Mg(2) atoms to form a mixture of distorted corner and edge-sharing AuMg4 cuboctahedra. In the fifth Au site, Au(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one Mg(3), and two equivalent Mg(1) atoms. In the sixth Au site, Au(3) is bonded in a distorted see-saw-like geometry to one Mg(2), one Mg(3), and two equivalent Mg(1) atoms. In the seventh Au site, Au(4) is bonded in a 4-coordinate geometry to one Mg(2), one Mg(3), and two equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_MgAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.758
_cell_length_b   9.520
_cell_length_c   10.481
_cell_angle_alpha   90.000
_cell_angle_beta   105.945
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   552.409
_cell_formula_units_Z   8
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  0.876  0.501  0.752  1.0
  Mg  Mg1  1  0.124  0.499  0.248  1.0
  Mg  Mg2  1  0.124  0.001  0.248  1.0
  Mg  Mg3  1  0.876  0.999  0.752  1.0
  Mg  Mg4  1  0.541  0.750  0.081  1.0
  Mg  Mg5  1  0.459  0.250  0.919  1.0
  Mg  Mg6  1  0.294  0.750  0.587  1.0
  Mg  Mg7  1  0.706  0.250  0.413  1.0
  Au  Au8  1  0.252  0.000  0.000  1.0
  Au  Au9  1  0.748  0.500  0.000  1.0
  Au  Au10  1  0.748  0.000  0.000  1.0
  Au  Au11  1  0.252  0.500  0.000  1.0
  Au  Au12  1  0.626  0.999  0.252  1.0
  Au  Au13  1  0.374  0.001  0.748  1.0
  Au  Au14  1  0.374  0.499  0.748  1.0
  Au  Au15  1  0.626  0.501  0.252  1.0
  Au  Au16  1  0.081  0.250  0.666  1.0
  Au  Au17  1  0.415  0.750  0.334  1.0
  Au  Au18  1  0.919  0.750  0.334  1.0
  Au  Au19  1  0.585  0.250  0.666  1.0
  Au  Au20  1  0.333  0.250  0.166  1.0
  Au  Au21  1  0.167  0.750  0.834  1.0
  Au  Au22  1  0.667  0.750  0.834  1.0
  Au  Au23  1  0.833  0.250  0.166  1.0
  Au  Au24  1  0.500  0.500  0.500  1.0
  Au  Au25  1  0.000  0.500  0.500  1.0
  Au  Au26  1  0.500  0.000  0.500  1.0
  Au  Au27  1  0.000  0.000  0.500  1.0
  Au  Au28  1  0.792  0.750  0.584  1.0
  Au  Au29  1  0.208  0.250  0.416  1.0
  Au  Au30  1  0.045  0.750  0.089  1.0
  Au  Au31  1  0.955  0.250  0.911  1.0
[/CIF]
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