The material described by MgY crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Mg(2), four equivalent Mg(3), two equivalent Y(1), and two equivalent Y(2) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), two equivalent Y(3), and four equivalent Y(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), two equivalent Y(2), and two equivalent Y(3) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Mg(1), four equivalent Mg(2), two equivalent Y(1), two equivalent Y(2), and two equivalent Y(3) atoms to form distorted YY6Mg6 cuboctahedra that share corners with six equivalent Y(1)Y6Mg6 cuboctahedra, corners with six equivalent Y(2)Y8Mg4 cuboctahedra, edges with three equivalent Y(2)Y8Mg4 cuboctahedra, faces with two equivalent Y(2)Y8Mg4 cuboctahedra, faces with four equivalent Y(1)Y6Mg6 cuboctahedra, and faces with six equivalent Y(3)Y8Mg4 cuboctahedra. In the second Y site, Y(2) is bonded to two equivalent Mg(1), two equivalent Mg(3), two equivalent Y(1), two equivalent Y(2), and four equivalent Y(3) atoms to form distorted YY8Mg4 cuboctahedra that share corners with six equivalent Y(1)Y6Mg6 cuboctahedra, corners with six equivalent Y(2)Y8Mg4 cuboctahedra, edges with three equivalent Y(1)Y6Mg6 cuboctahedra, edges with four equivalent Y(3)Y8Mg4 cuboctahedra, faces with two equivalent Y(1)Y6Mg6 cuboctahedra, faces with four equivalent Y(2)Y8Mg4 cuboctahedra, and faces with four equivalent Y(3)Y8Mg4 cuboctahedra. In the third Y site, Y(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), two equivalent Y(1), two equivalent Y(3), and four equivalent Y(2) atoms to form YY8Mg4 cuboctahedra that share corners with six equivalent Y(3)Y8Mg4 cuboctahedra, edges with four equivalent Y(2)Y8Mg4 cuboctahedra, faces with four equivalent Y(2)Y8Mg4 cuboctahedra, faces with four equivalent Y(3)Y8Mg4 cuboctahedra, and faces with six equivalent Y(1)Y6Mg6 cuboctahedra. is represented by the CIF card [CIF]
data_YMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.796
_cell_length_b   8.796
_cell_length_c   5.453
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   156.302
_symmetry_Int_Tables_number   1
_cell_volume   169.586
_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  0.991  0.009  0.000  1.0
  Y  Y1  1  0.671  0.329  0.000  1.0
  Y  Y2  1  0.112  0.888  0.500  1.0
  Mg  Mg3  1  0.333  0.667  0.000  1.0
  Mg  Mg4  1  0.443  0.557  0.500  1.0
  Mg  Mg5  1  0.783  0.217  0.500  1.0
[/CIF]
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The material described by MgY crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Mg(2), four equivalent Mg(3), two equivalent Y(1), and two equivalent Y(2) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), two equivalent Y(3), and four equivalent Y(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), two equivalent Y(2), and two equivalent Y(3) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Mg(1), four equivalent Mg(2), two equivalent Y(1), two equivalent Y(2), and two equivalent Y(3) atoms to form distorted YY6Mg6 cuboctahedra that share corners with six equivalent Y(1)Y6Mg6 cuboctahedra, corners with six equivalent Y(2)Y8Mg4 cuboctahedra, edges with three equivalent Y(2)Y8Mg4 cuboctahedra, faces with two equivalent Y(2)Y8Mg4 cuboctahedra, faces with four equivalent Y(1)Y6Mg6 cuboctahedra, and faces with six equivalent Y(3)Y8Mg4 cuboctahedra. In the second Y site, Y(2) is bonded to two equivalent Mg(1), two equivalent Mg(3), two equivalent Y(1), two equivalent Y(2), and four equivalent Y(3) atoms to form distorted YY8Mg4 cuboctahedra that share corners with six equivalent Y(1)Y6Mg6 cuboctahedra, corners with six equivalent Y(2)Y8Mg4 cuboctahedra, edges with three equivalent Y(1)Y6Mg6 cuboctahedra, edges with four equivalent Y(3)Y8Mg4 cuboctahedra, faces with two equivalent Y(1)Y6Mg6 cuboctahedra, faces with four equivalent Y(2)Y8Mg4 cuboctahedra, and faces with four equivalent Y(3)Y8Mg4 cuboctahedra. In the third Y site, Y(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), two equivalent Y(1), two equivalent Y(3), and four equivalent Y(2) atoms to form YY8Mg4 cuboctahedra that share corners with six equivalent Y(3)Y8Mg4 cuboctahedra, edges with four equivalent Y(2)Y8Mg4 cuboctahedra, faces with four equivalent Y(2)Y8Mg4 cuboctahedra, faces with four equivalent Y(3)Y8Mg4 cuboctahedra, and faces with six equivalent Y(1)Y6Mg6 cuboctahedra. is represented by the CIF card [CIF]
data_YMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.796
_cell_length_b   8.796
_cell_length_c   5.453
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   156.302
_symmetry_Int_Tables_number   1
_cell_volume   169.586
_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  0.991  0.009  0.000  1.0
  Y  Y1  1  0.671  0.329  0.000  1.0
  Y  Y2  1  0.112  0.888  0.500  1.0
  Mg  Mg3  1  0.333  0.667  0.000  1.0
  Mg  Mg4  1  0.443  0.557  0.500  1.0
  Mg  Mg5  1  0.783  0.217  0.500  1.0
[/CIF]
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