The material described by MgY5 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to six equivalent Y(1) and six equivalent Y(2) atoms to form MgY12 cuboctahedra that share corners with eighteen equivalent Y(2)Y9Mg3 cuboctahedra, edges with six equivalent Mg(1)Y12 cuboctahedra, edges with twelve equivalent Y(1)Y10Mg2 cuboctahedra, faces with two equivalent Mg(1)Y12 cuboctahedra, faces with six equivalent Y(2)Y9Mg3 cuboctahedra, and faces with twelve equivalent Y(1)Y10Mg2 cuboctahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Mg(1), four equivalent Y(2), and six equivalent Y(1) atoms to form YY10Mg2 cuboctahedra that share corners with eighteen equivalent Y(1)Y10Mg2 cuboctahedra, edges with four equivalent Mg(1)Y12 cuboctahedra, edges with six equivalent Y(1)Y10Mg2 cuboctahedra, edges with eight equivalent Y(2)Y9Mg3 cuboctahedra, faces with four equivalent Mg(1)Y12 cuboctahedra, faces with eight equivalent Y(1)Y10Mg2 cuboctahedra, and faces with eight equivalent Y(2)Y9Mg3 cuboctahedra. In the second Y site, Y(2) is bonded to three equivalent Mg(1), three equivalent Y(2), and six equivalent Y(1) atoms to form YY9Mg3 cuboctahedra that share corners with nine equivalent Mg(1)Y12 cuboctahedra, corners with nine equivalent Y(2)Y9Mg3 cuboctahedra, edges with six equivalent Y(2)Y9Mg3 cuboctahedra, edges with twelve equivalent Y(1)Y10Mg2 cuboctahedra, faces with three equivalent Mg(1)Y12 cuboctahedra, faces with five equivalent Y(2)Y9Mg3 cuboctahedra, and faces with twelve equivalent Y(1)Y10Mg2 cuboctahedra. is represented by the CIF card [CIF]
data_Y5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.206
_cell_length_b   6.206
_cell_length_c   5.597
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   186.723
_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  0.676  0.000  0.500  1.0
  Y  Y1  1  0.324  0.324  0.500  1.0
  Y  Y2  1  0.000  0.676  0.500  1.0
  Y  Y3  1  0.667  0.333  0.000  1.0
  Y  Y4  1  0.333  0.667  0.000  1.0
  Mg  Mg5  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by MgY5 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to six equivalent Y(1) and six equivalent Y(2) atoms to form MgY12 cuboctahedra that share corners with eighteen equivalent Y(2)Y9Mg3 cuboctahedra, edges with six equivalent Mg(1)Y12 cuboctahedra, edges with twelve equivalent Y(1)Y10Mg2 cuboctahedra, faces with two equivalent Mg(1)Y12 cuboctahedra, faces with six equivalent Y(2)Y9Mg3 cuboctahedra, and faces with twelve equivalent Y(1)Y10Mg2 cuboctahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Mg(1), four equivalent Y(2), and six equivalent Y(1) atoms to form YY10Mg2 cuboctahedra that share corners with eighteen equivalent Y(1)Y10Mg2 cuboctahedra, edges with four equivalent Mg(1)Y12 cuboctahedra, edges with six equivalent Y(1)Y10Mg2 cuboctahedra, edges with eight equivalent Y(2)Y9Mg3 cuboctahedra, faces with four equivalent Mg(1)Y12 cuboctahedra, faces with eight equivalent Y(1)Y10Mg2 cuboctahedra, and faces with eight equivalent Y(2)Y9Mg3 cuboctahedra. In the second Y site, Y(2) is bonded to three equivalent Mg(1), three equivalent Y(2), and six equivalent Y(1) atoms to form YY9Mg3 cuboctahedra that share corners with nine equivalent Mg(1)Y12 cuboctahedra, corners with nine equivalent Y(2)Y9Mg3 cuboctahedra, edges with six equivalent Y(2)Y9Mg3 cuboctahedra, edges with twelve equivalent Y(1)Y10Mg2 cuboctahedra, faces with three equivalent Mg(1)Y12 cuboctahedra, faces with five equivalent Y(2)Y9Mg3 cuboctahedra, and faces with twelve equivalent Y(1)Y10Mg2 cuboctahedra. is represented by the CIF card [CIF]
data_Y5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.206
_cell_length_b   6.206
_cell_length_c   5.597
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   186.723
_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  0.676  0.000  0.500  1.0
  Y  Y1  1  0.324  0.324  0.500  1.0
  Y  Y2  1  0.000  0.676  0.500  1.0
  Y  Y3  1  0.667  0.333  0.000  1.0
  Y  Y4  1  0.333  0.667  0.000  1.0
  Mg  Mg5  1  0.000  0.000  0.000  1.0
[/CIF]
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