The material structure described by Mg2Y crystallizes in the hexagonal P-62m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), six equivalent Mg(1), and four equivalent Y(1) atoms to form distorted MgY4Mg8 cuboctahedra that share corners with eighteen equivalent Mg(1)Y4Mg8 cuboctahedra, edges with four equivalent Mg(2)Y6Mg6 cuboctahedra, edges with six equivalent Mg(1)Y4Mg8 cuboctahedra, edges with eight equivalent Y(1)Y3Mg9 cuboctahedra, faces with four equivalent Mg(2)Y6Mg6 cuboctahedra, faces with eight equivalent Mg(1)Y4Mg8 cuboctahedra, and faces with eight equivalent Y(1)Y3Mg9 cuboctahedra. In the second Mg site, Mg(2) is bonded to six equivalent Mg(1) and six equivalent Y(1) atoms to form MgY6Mg6 cuboctahedra that share corners with eighteen equivalent Y(1)Y3Mg9 cuboctahedra, edges with six equivalent Mg(2)Y6Mg6 cuboctahedra, edges with twelve equivalent Mg(1)Y4Mg8 cuboctahedra, faces with two equivalent Mg(2)Y6Mg6 cuboctahedra, faces with six equivalent Y(1)Y3Mg9 cuboctahedra, and faces with twelve equivalent Mg(1)Y4Mg8 cuboctahedra. Y(1) is bonded to three equivalent Mg(2), six equivalent Mg(1), and three equivalent Y(1) atoms to form YY3Mg9 cuboctahedra that share corners with nine equivalent Mg(2)Y6Mg6 cuboctahedra, corners with nine equivalent Y(1)Y3Mg9 cuboctahedra, edges with six equivalent Y(1)Y3Mg9 cuboctahedra, edges with twelve equivalent Mg(1)Y4Mg8 cuboctahedra, faces with three equivalent Mg(2)Y6Mg6 cuboctahedra, faces with five equivalent Y(1)Y3Mg9 cuboctahedra, and faces with twelve equivalent Mg(1)Y4Mg8 cuboctahedra. is represented by the CIF file [CIF]
data_YMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.922
_cell_length_b   5.922
_cell_length_c   5.216
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   158.441
_cell_formula_units_Z   2
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
  Y  Y0  1  0.333  0.667  0.500  1.0
  Y  Y1  1  0.667  0.333  0.500  1.0
  Mg  Mg2  1  0.681  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.681  0.000  1.0
  Mg  Mg4  1  0.319  0.319  0.000  1.0
  Mg  Mg5  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by Mg2Y crystallizes in the hexagonal P-62m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), six equivalent Mg(1), and four equivalent Y(1) atoms to form distorted MgY4Mg8 cuboctahedra that share corners with eighteen equivalent Mg(1)Y4Mg8 cuboctahedra, edges with four equivalent Mg(2)Y6Mg6 cuboctahedra, edges with six equivalent Mg(1)Y4Mg8 cuboctahedra, edges with eight equivalent Y(1)Y3Mg9 cuboctahedra, faces with four equivalent Mg(2)Y6Mg6 cuboctahedra, faces with eight equivalent Mg(1)Y4Mg8 cuboctahedra, and faces with eight equivalent Y(1)Y3Mg9 cuboctahedra. In the second Mg site, Mg(2) is bonded to six equivalent Mg(1) and six equivalent Y(1) atoms to form MgY6Mg6 cuboctahedra that share corners with eighteen equivalent Y(1)Y3Mg9 cuboctahedra, edges with six equivalent Mg(2)Y6Mg6 cuboctahedra, edges with twelve equivalent Mg(1)Y4Mg8 cuboctahedra, faces with two equivalent Mg(2)Y6Mg6 cuboctahedra, faces with six equivalent Y(1)Y3Mg9 cuboctahedra, and faces with twelve equivalent Mg(1)Y4Mg8 cuboctahedra. Y(1) is bonded to three equivalent Mg(2), six equivalent Mg(1), and three equivalent Y(1) atoms to form YY3Mg9 cuboctahedra that share corners with nine equivalent Mg(2)Y6Mg6 cuboctahedra, corners with nine equivalent Y(1)Y3Mg9 cuboctahedra, edges with six equivalent Y(1)Y3Mg9 cuboctahedra, edges with twelve equivalent Mg(1)Y4Mg8 cuboctahedra, faces with three equivalent Mg(2)Y6Mg6 cuboctahedra, faces with five equivalent Y(1)Y3Mg9 cuboctahedra, and faces with twelve equivalent Mg(1)Y4Mg8 cuboctahedra. is represented by the CIF file [CIF]
data_YMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.922
_cell_length_b   5.922
_cell_length_c   5.216
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   158.441
_cell_formula_units_Z   2
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
  Y  Y0  1  0.333  0.667  0.500  1.0
  Y  Y1  1  0.667  0.333  0.500  1.0
  Mg  Mg2  1  0.681  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.681  0.000  1.0
  Mg  Mg4  1  0.319  0.319  0.000  1.0
  Mg  Mg5  1  0.000  0.000  0.500  1.0
[/CIF]
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