The material structure described by MgY is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Mg(2); three equivalent Mg(1); three equivalent Y(1); and four Y(2,2) atoms. In the second Mg site, Mg(2) is bonded to four equivalent Mg(1); two equivalent Y(1); and six Y(2,2) atoms to form distorted MgY8Mg4 cuboctahedra that share corners with eighteen Y(2,2)Y5Mg7 cuboctahedra; edges with four equivalent Y(1)Y4Mg8 cuboctahedra; edges with six equivalent Mg(2)Y8Mg4 cuboctahedra; faces with two equivalent Mg(2)Y8Mg4 cuboctahedra; faces with four equivalent Y(1)Y4Mg8 cuboctahedra; and faces with six Y(2,2)Y5Mg7 cuboctahedra. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Mg(2), six equivalent Mg(1), and four equivalent Y(2) atoms to form distorted YY4Mg8 cuboctahedra that share edges with four equivalent Mg(2)Y8Mg4 cuboctahedra; edges with six equivalent Y(1)Y4Mg8 cuboctahedra; edges with eight Y(2,2)Y5Mg7 cuboctahedra; faces with two equivalent Y(1)Y4Mg8 cuboctahedra; faces with four equivalent Mg(2)Y8Mg4 cuboctahedra; and faces with eight Y(2,2)Y5Mg7 cuboctahedra. In the second Y site, Y(2) is bonded to three equivalent Mg(2); four equivalent Mg(1); two equivalent Y(1); and three Y(2,2) atoms to form distorted YY5Mg7 cuboctahedra that share corners with nine equivalent Mg(2)Y8Mg4 cuboctahedra; corners with nine Y(2,2)Y5Mg7 cuboctahedra; edges with four equivalent Y(1)Y4Mg8 cuboctahedra; edges with six equivalent Y(2)Y5Mg7 cuboctahedra; faces with three equivalent Mg(2)Y8Mg4 cuboctahedra; faces with four equivalent Y(1)Y4Mg8 cuboctahedra; and faces with five Y(2,2)Y5Mg7 cuboctahedra. In the third Y site, Y(2) is bonded to three equivalent Mg(2), four equivalent Mg(1), two equivalent Y(1), and three equivalent Y(2) atoms to form distorted YY5Mg7 cuboctahedra that share corners with nine equivalent Mg(2)Y8Mg4 cuboctahedra; corners with nine equivalent Y(2)Y5Mg7 cuboctahedra; edges with four equivalent Y(1)Y4Mg8 cuboctahedra; edges with six Y(2,2)Y5Mg7 cuboctahedra; faces with three equivalent Mg(2)Y8Mg4 cuboctahedra; faces with four equivalent Y(1)Y4Mg8 cuboctahedra; and faces with five Y(2,2)Y5Mg7 cuboctahedra. is represented by the CIF card [CIF]
data_YMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.900
_cell_length_b   5.900
_cell_length_c   5.452
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.900
_symmetry_Int_Tables_number   1
_cell_volume   167.716
_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  0.626  0.626  0.000  1.0
  Y  Y1  1  0.043  0.684  0.500  1.0
  Y  Y2  1  0.684  0.043  0.500  1.0
  Mg  Mg3  1  0.993  0.320  0.000  1.0
  Mg  Mg4  1  0.320  0.993  0.000  1.0
  Mg  Mg5  1  0.335  0.335  0.500  1.0
[/CIF]
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The material structure described by MgY is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Mg(2); three equivalent Mg(1); three equivalent Y(1); and four Y(2,2) atoms. In the second Mg site, Mg(2) is bonded to four equivalent Mg(1); two equivalent Y(1); and six Y(2,2) atoms to form distorted MgY8Mg4 cuboctahedra that share corners with eighteen Y(2,2)Y5Mg7 cuboctahedra; edges with four equivalent Y(1)Y4Mg8 cuboctahedra; edges with six equivalent Mg(2)Y8Mg4 cuboctahedra; faces with two equivalent Mg(2)Y8Mg4 cuboctahedra; faces with four equivalent Y(1)Y4Mg8 cuboctahedra; and faces with six Y(2,2)Y5Mg7 cuboctahedra. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Mg(2), six equivalent Mg(1), and four equivalent Y(2) atoms to form distorted YY4Mg8 cuboctahedra that share edges with four equivalent Mg(2)Y8Mg4 cuboctahedra; edges with six equivalent Y(1)Y4Mg8 cuboctahedra; edges with eight Y(2,2)Y5Mg7 cuboctahedra; faces with two equivalent Y(1)Y4Mg8 cuboctahedra; faces with four equivalent Mg(2)Y8Mg4 cuboctahedra; and faces with eight Y(2,2)Y5Mg7 cuboctahedra. In the second Y site, Y(2) is bonded to three equivalent Mg(2); four equivalent Mg(1); two equivalent Y(1); and three Y(2,2) atoms to form distorted YY5Mg7 cuboctahedra that share corners with nine equivalent Mg(2)Y8Mg4 cuboctahedra; corners with nine Y(2,2)Y5Mg7 cuboctahedra; edges with four equivalent Y(1)Y4Mg8 cuboctahedra; edges with six equivalent Y(2)Y5Mg7 cuboctahedra; faces with three equivalent Mg(2)Y8Mg4 cuboctahedra; faces with four equivalent Y(1)Y4Mg8 cuboctahedra; and faces with five Y(2,2)Y5Mg7 cuboctahedra. In the third Y site, Y(2) is bonded to three equivalent Mg(2), four equivalent Mg(1), two equivalent Y(1), and three equivalent Y(2) atoms to form distorted YY5Mg7 cuboctahedra that share corners with nine equivalent Mg(2)Y8Mg4 cuboctahedra; corners with nine equivalent Y(2)Y5Mg7 cuboctahedra; edges with four equivalent Y(1)Y4Mg8 cuboctahedra; edges with six Y(2,2)Y5Mg7 cuboctahedra; faces with three equivalent Mg(2)Y8Mg4 cuboctahedra; faces with four equivalent Y(1)Y4Mg8 cuboctahedra; and faces with five Y(2,2)Y5Mg7 cuboctahedra. is represented by the CIF card [CIF]
data_YMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.900
_cell_length_b   5.900
_cell_length_c   5.452
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.900
_symmetry_Int_Tables_number   1
_cell_volume   167.716
_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  0.626  0.626  0.000  1.0
  Y  Y1  1  0.043  0.684  0.500  1.0
  Y  Y2  1  0.684  0.043  0.500  1.0
  Mg  Mg3  1  0.993  0.320  0.000  1.0
  Mg  Mg4  1  0.320  0.993  0.000  1.0
  Mg  Mg5  1  0.335  0.335  0.500  1.0
[/CIF]
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