The compound described by MgY3 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a 10-coordinate geometry to four equivalent Y(1) and six equivalent Y(2) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Mg(1), two equivalent Y(1), and six equivalent Y(2) atoms to form distorted YY8Mg4 cuboctahedra that share corners with fourteen equivalent Y(1)Y8Mg4 cuboctahedra, edges with two equivalent Y(1)Y8Mg4 cuboctahedra, edges with twelve equivalent Y(2)Y9Mg3 cuboctahedra, faces with two equivalent Y(1)Y8Mg4 cuboctahedra, and faces with twelve equivalent Y(2)Y9Mg3 cuboctahedra. In the second Y site, Y(2) is bonded to three equivalent Mg(1), three equivalent Y(1), and six equivalent Y(2) atoms to form YY9Mg3 cuboctahedra that share corners with eighteen equivalent Y(2)Y9Mg3 cuboctahedra, edges with six equivalent Y(1)Y8Mg4 cuboctahedra, edges with six equivalent Y(2)Y9Mg3 cuboctahedra, faces with six equivalent Y(1)Y8Mg4 cuboctahedra, and faces with eight equivalent Y(2)Y9Mg3 cuboctahedra. is represented by the CIF card [CIF]
data_Y3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.631
_cell_length_b   6.631
_cell_length_c   6.631
_cell_angle_alpha   148.294
_cell_angle_beta   126.857
_cell_angle_gamma   63.219
_symmetry_Int_Tables_number   1
_cell_volume   121.363
_cell_formula_units_Z   1
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  0.848  0.500  0.348  1.0
  Y  Y1  1  0.250  0.257  0.994  1.0
  Y  Y2  1  0.737  0.743  0.994  1.0
  Mg  Mg3  1  0.332  0.000  0.332  1.0
[/CIF]
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The compound described by MgY3 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a 10-coordinate geometry to four equivalent Y(1) and six equivalent Y(2) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Mg(1), two equivalent Y(1), and six equivalent Y(2) atoms to form distorted YY8Mg4 cuboctahedra that share corners with fourteen equivalent Y(1)Y8Mg4 cuboctahedra, edges with two equivalent Y(1)Y8Mg4 cuboctahedra, edges with twelve equivalent Y(2)Y9Mg3 cuboctahedra, faces with two equivalent Y(1)Y8Mg4 cuboctahedra, and faces with twelve equivalent Y(2)Y9Mg3 cuboctahedra. In the second Y site, Y(2) is bonded to three equivalent Mg(1), three equivalent Y(1), and six equivalent Y(2) atoms to form YY9Mg3 cuboctahedra that share corners with eighteen equivalent Y(2)Y9Mg3 cuboctahedra, edges with six equivalent Y(1)Y8Mg4 cuboctahedra, edges with six equivalent Y(2)Y9Mg3 cuboctahedra, faces with six equivalent Y(1)Y8Mg4 cuboctahedra, and faces with eight equivalent Y(2)Y9Mg3 cuboctahedra. is represented by the CIF card [CIF]
data_Y3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.631
_cell_length_b   6.631
_cell_length_c   6.631
_cell_angle_alpha   148.294
_cell_angle_beta   126.857
_cell_angle_gamma   63.219
_symmetry_Int_Tables_number   1
_cell_volume   121.363
_cell_formula_units_Z   1
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  0.848  0.500  0.348  1.0
  Y  Y1  1  0.250  0.257  0.994  1.0
  Y  Y2  1  0.737  0.743  0.994  1.0
  Mg  Mg3  1  0.332  0.000  0.332  1.0
[/CIF]
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