The crystal structure described by Mg2Ba is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded in a 12-coordinate geometry to three equivalent Mg(2) and nine equivalent Mg(1) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(2) is bonded to six equivalent Ba(1) and six equivalent Mg(1) atoms to form a mixture of corner, edge, and face-sharing MgBa6Mg6 cuboctahedra. In the second Mg site, Mg(1) is bonded to six equivalent Ba(1), two equivalent Mg(2), and four equivalent Mg(1) atoms to form a mixture of corner, edge, and face-sharing MgBa6Mg6 cuboctahedra. is represented by the CIF file [CIF]
data_BaMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.645
_cell_length_b   6.645
_cell_length_c   10.582
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   404.629
_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
  Ba  Ba0  1  0.333  0.667  0.444  1.0
  Ba  Ba1  1  0.667  0.333  0.944  1.0
  Ba  Ba2  1  0.667  0.333  0.556  1.0
  Ba  Ba3  1  0.333  0.667  0.056  1.0
  Mg  Mg4  1  0.161  0.322  0.750  1.0
  Mg  Mg5  1  0.839  0.161  0.250  1.0
  Mg  Mg6  1  0.322  0.161  0.250  1.0
  Mg  Mg7  1  0.678  0.839  0.750  1.0
  Mg  Mg8  1  0.000  0.000  0.000  1.0
  Mg  Mg9  1  0.000  0.000  0.500  1.0
  Mg  Mg10  1  0.839  0.678  0.250  1.0
  Mg  Mg11  1  0.161  0.839  0.750  1.0
[/CIF]
.
The crystal structure described by Mg2Ba is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded in a 12-coordinate geometry to three equivalent Mg(2) and nine equivalent Mg(1) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(2) is bonded to six equivalent Ba(1) and six equivalent Mg(1) atoms to form a mixture of corner, edge, and face-sharing MgBa6Mg6 cuboctahedra. In the second Mg site, Mg(1) is bonded to six equivalent Ba(1), two equivalent Mg(2), and four equivalent Mg(1) atoms to form a mixture of corner, edge, and face-sharing MgBa6Mg6 cuboctahedra. is represented by the CIF file [CIF]
data_BaMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.645
_cell_length_b   6.645
_cell_length_c   10.582
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   404.629
_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
  Ba  Ba0  1  0.333  0.667  0.444  1.0
  Ba  Ba1  1  0.667  0.333  0.944  1.0
  Ba  Ba2  1  0.667  0.333  0.556  1.0
  Ba  Ba3  1  0.333  0.667  0.056  1.0
  Mg  Mg4  1  0.161  0.322  0.750  1.0
  Mg  Mg5  1  0.839  0.161  0.250  1.0
  Mg  Mg6  1  0.322  0.161  0.250  1.0
  Mg  Mg7  1  0.678  0.839  0.750  1.0
  Mg  Mg8  1  0.000  0.000  0.000  1.0
  Mg  Mg9  1  0.000  0.000  0.500  1.0
  Mg  Mg10  1  0.839  0.678  0.250  1.0
  Mg  Mg11  1  0.161  0.839  0.750  1.0
[/CIF]
.