The compound described by MgY is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), one Y(2), two equivalent Y(1), and three equivalent Y(3) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent Y(2), two equivalent Y(3), and three equivalent Y(1) atoms. In the third Mg site, Mg(3) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent Y(1), two equivalent Y(3), and three equivalent Y(2) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), three equivalent Mg(2), one Y(3), two equivalent Y(1), and two equivalent Y(2) atoms. In the second Y site, Y(2) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), two equivalent Y(1), two equivalent Y(2), and two equivalent Y(3) atoms. In the third Y site, Y(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(1), one Y(1), two equivalent Y(2), and two equivalent Y(3) atoms to form a mixture of distorted face and corner-sharing YY5Mg7 cuboctahedra. is represented by the CIF file [CIF]
data_YMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.385
_cell_length_b   6.385
_cell_length_c   8.312
_cell_angle_alpha   71.673
_cell_angle_beta   71.673
_cell_angle_gamma   31.751
_symmetry_Int_Tables_number   1
_cell_volume   168.511
_cell_formula_units_Z   3
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  0.307  0.307  0.355  1.0
  Y  Y1  1  0.969  0.969  0.586  1.0
  Y  Y2  1  0.290  0.290  0.940  1.0
  Mg  Mg3  1  0.999  0.999  0.004  1.0
  Mg  Mg4  1  0.602  0.602  0.246  1.0
  Mg  Mg5  1  0.667  0.667  0.702  1.0
[/CIF]
.
The compound described by MgY is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), one Y(2), two equivalent Y(1), and three equivalent Y(3) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent Y(2), two equivalent Y(3), and three equivalent Y(1) atoms. In the third Mg site, Mg(3) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent Y(1), two equivalent Y(3), and three equivalent Y(2) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), three equivalent Mg(2), one Y(3), two equivalent Y(1), and two equivalent Y(2) atoms. In the second Y site, Y(2) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), two equivalent Y(1), two equivalent Y(2), and two equivalent Y(3) atoms. In the third Y site, Y(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(1), one Y(1), two equivalent Y(2), and two equivalent Y(3) atoms to form a mixture of distorted face and corner-sharing YY5Mg7 cuboctahedra. is represented by the CIF file [CIF]
data_YMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.385
_cell_length_b   6.385
_cell_length_c   8.312
_cell_angle_alpha   71.673
_cell_angle_beta   71.673
_cell_angle_gamma   31.751
_symmetry_Int_Tables_number   1
_cell_volume   168.511
_cell_formula_units_Z   3
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  0.307  0.307  0.355  1.0
  Y  Y1  1  0.969  0.969  0.586  1.0
  Y  Y2  1  0.290  0.290  0.940  1.0
  Mg  Mg3  1  0.999  0.999  0.004  1.0
  Mg  Mg4  1  0.602  0.602  0.246  1.0
  Mg  Mg5  1  0.667  0.667  0.702  1.0
[/CIF]
.