The material structure described by Mg2Y crystallizes in the monoclinic Cm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), one Y(2), and two equivalent Y(1) atoms. In the second Mg site, Mg(2) is bonded to one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Y(2), and three equivalent Y(1) atoms to form distorted MgY5Mg7 cuboctahedra that share corners with six equivalent Mg(3)Y4Mg8 cuboctahedra, corners with six equivalent Mg(2)Y5Mg7 cuboctahedra, edges with two equivalent Y(1)Y4Mg8 cuboctahedra, edges with three equivalent Mg(3)Y4Mg8 cuboctahedra, edges with six equivalent Y(2)Y4Mg8 cuboctahedra, faces with two equivalent Mg(2)Y5Mg7 cuboctahedra, faces with three equivalent Mg(3)Y4Mg8 cuboctahedra, faces with three equivalent Y(2)Y4Mg8 cuboctahedra, and faces with five equivalent Y(1)Y4Mg8 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), one Y(1), and three equivalent Y(2) atoms to form distorted MgY4Mg8 cuboctahedra that share corners with six equivalent Mg(3)Y4Mg8 cuboctahedra, corners with six equivalent Mg(2)Y5Mg7 cuboctahedra, edges with two equivalent Y(2)Y4Mg8 cuboctahedra, edges with three equivalent Mg(2)Y5Mg7 cuboctahedra, edges with four equivalent Y(1)Y4Mg8 cuboctahedra, faces with two equivalent Mg(3)Y4Mg8 cuboctahedra, faces with three equivalent Mg(2)Y5Mg7 cuboctahedra, faces with four equivalent Y(1)Y4Mg8 cuboctahedra, and faces with five equivalent Y(2)Y4Mg8 cuboctahedra. In the fourth Mg site, Mg(4) is bonded in a 11-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Y(1), and two equivalent Y(2) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one Mg(3), two equivalent Mg(1), two equivalent Mg(4), three equivalent Mg(2), two equivalent Y(1), and two equivalent Y(2) atoms to form YY4Mg8 cuboctahedra that share corners with six equivalent Y(1)Y4Mg8 cuboctahedra, corners with six equivalent Y(2)Y4Mg8 cuboctahedra, edges with two equivalent Mg(2)Y5Mg7 cuboctahedra, edges with three equivalent Y(2)Y4Mg8 cuboctahedra, edges with four equivalent Mg(3)Y4Mg8 cuboctahedra, faces with two equivalent Y(1)Y4Mg8 cuboctahedra, faces with three equivalent Y(2)Y4Mg8 cuboctahedra, faces with four equivalent Mg(3)Y4Mg8 cuboctahedra, and faces with five equivalent Mg(2)Y5Mg7 cuboctahedra. In the second Y site, Y(2) is bonded to one Mg(1), two equivalent Mg(2), two equivalent Mg(4), three equivalent Mg(3), two equivalent Y(1), and two equivalent Y(2) atoms to form YY4Mg8 cuboctahedra that share corners with six equivalent Y(1)Y4Mg8 cuboctahedra, corners with six equivalent Y(2)Y4Mg8 cuboctahedra, edges with two equivalent Mg(3)Y4Mg8 cuboctahedra, edges with three equivalent Y(1)Y4Mg8 cuboctahedra, edges with six equivalent Mg(2)Y5Mg7 cuboctahedra, faces with two equivalent Y(2)Y4Mg8 cuboctahedra, faces with three equivalent Mg(2)Y5Mg7 cuboctahedra, faces with three equivalent Y(1)Y4Mg8 cuboctahedra, and faces with five equivalent Mg(3)Y4Mg8 cuboctahedra. is represented by the CIF card [CIF]
data_YMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.628
_cell_length_b   6.628
_cell_length_c   7.803
_cell_angle_alpha   77.027
_cell_angle_beta   77.027
_cell_angle_gamma   28.914
_symmetry_Int_Tables_number   1
_cell_volume   161.196
_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  0.617  0.617  0.273  1.0
  Y  Y1  1  0.939  0.939  0.612  1.0
  Mg  Mg2  1  0.995  0.995  0.002  1.0
  Mg  Mg3  1  0.336  0.336  0.327  1.0
  Mg  Mg4  1  0.668  0.668  0.671  1.0
  Mg  Mg5  1  0.278  0.278  0.948  1.0
[/CIF]
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The material structure described by Mg2Y crystallizes in the monoclinic Cm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), one Y(2), and two equivalent Y(1) atoms. In the second Mg site, Mg(2) is bonded to one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Y(2), and three equivalent Y(1) atoms to form distorted MgY5Mg7 cuboctahedra that share corners with six equivalent Mg(3)Y4Mg8 cuboctahedra, corners with six equivalent Mg(2)Y5Mg7 cuboctahedra, edges with two equivalent Y(1)Y4Mg8 cuboctahedra, edges with three equivalent Mg(3)Y4Mg8 cuboctahedra, edges with six equivalent Y(2)Y4Mg8 cuboctahedra, faces with two equivalent Mg(2)Y5Mg7 cuboctahedra, faces with three equivalent Mg(3)Y4Mg8 cuboctahedra, faces with three equivalent Y(2)Y4Mg8 cuboctahedra, and faces with five equivalent Y(1)Y4Mg8 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), one Y(1), and three equivalent Y(2) atoms to form distorted MgY4Mg8 cuboctahedra that share corners with six equivalent Mg(3)Y4Mg8 cuboctahedra, corners with six equivalent Mg(2)Y5Mg7 cuboctahedra, edges with two equivalent Y(2)Y4Mg8 cuboctahedra, edges with three equivalent Mg(2)Y5Mg7 cuboctahedra, edges with four equivalent Y(1)Y4Mg8 cuboctahedra, faces with two equivalent Mg(3)Y4Mg8 cuboctahedra, faces with three equivalent Mg(2)Y5Mg7 cuboctahedra, faces with four equivalent Y(1)Y4Mg8 cuboctahedra, and faces with five equivalent Y(2)Y4Mg8 cuboctahedra. In the fourth Mg site, Mg(4) is bonded in a 11-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Y(1), and two equivalent Y(2) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one Mg(3), two equivalent Mg(1), two equivalent Mg(4), three equivalent Mg(2), two equivalent Y(1), and two equivalent Y(2) atoms to form YY4Mg8 cuboctahedra that share corners with six equivalent Y(1)Y4Mg8 cuboctahedra, corners with six equivalent Y(2)Y4Mg8 cuboctahedra, edges with two equivalent Mg(2)Y5Mg7 cuboctahedra, edges with three equivalent Y(2)Y4Mg8 cuboctahedra, edges with four equivalent Mg(3)Y4Mg8 cuboctahedra, faces with two equivalent Y(1)Y4Mg8 cuboctahedra, faces with three equivalent Y(2)Y4Mg8 cuboctahedra, faces with four equivalent Mg(3)Y4Mg8 cuboctahedra, and faces with five equivalent Mg(2)Y5Mg7 cuboctahedra. In the second Y site, Y(2) is bonded to one Mg(1), two equivalent Mg(2), two equivalent Mg(4), three equivalent Mg(3), two equivalent Y(1), and two equivalent Y(2) atoms to form YY4Mg8 cuboctahedra that share corners with six equivalent Y(1)Y4Mg8 cuboctahedra, corners with six equivalent Y(2)Y4Mg8 cuboctahedra, edges with two equivalent Mg(3)Y4Mg8 cuboctahedra, edges with three equivalent Y(1)Y4Mg8 cuboctahedra, edges with six equivalent Mg(2)Y5Mg7 cuboctahedra, faces with two equivalent Y(2)Y4Mg8 cuboctahedra, faces with three equivalent Mg(2)Y5Mg7 cuboctahedra, faces with three equivalent Y(1)Y4Mg8 cuboctahedra, and faces with five equivalent Mg(3)Y4Mg8 cuboctahedra. is represented by the CIF card [CIF]
data_YMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.628
_cell_length_b   6.628
_cell_length_c   7.803
_cell_angle_alpha   77.027
_cell_angle_beta   77.027
_cell_angle_gamma   28.914
_symmetry_Int_Tables_number   1
_cell_volume   161.196
_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  0.617  0.617  0.273  1.0
  Y  Y1  1  0.939  0.939  0.612  1.0
  Mg  Mg2  1  0.995  0.995  0.002  1.0
  Mg  Mg3  1  0.336  0.336  0.327  1.0
  Mg  Mg4  1  0.668  0.668  0.671  1.0
  Mg  Mg5  1  0.278  0.278  0.948  1.0
[/CIF]
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