The compound described by MgYb5 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to six equivalent Yb(1) and six equivalent Yb(2) atoms to form MgYb12 cuboctahedra that share corners with eighteen equivalent Yb(1)Yb9Mg3 cuboctahedra, edges with six equivalent Mg(1)Yb12 cuboctahedra, edges with twelve equivalent Yb(2)Yb10Mg2 cuboctahedra, faces with two equivalent Mg(1)Yb12 cuboctahedra, faces with six equivalent Yb(1)Yb9Mg3 cuboctahedra, and faces with twelve equivalent Yb(2)Yb10Mg2 cuboctahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to three equivalent Mg(1), three equivalent Yb(1), and six equivalent Yb(2) atoms to form YbYb9Mg3 cuboctahedra that share corners with nine equivalent Mg(1)Yb12 cuboctahedra, corners with nine equivalent Yb(1)Yb9Mg3 cuboctahedra, edges with six equivalent Yb(1)Yb9Mg3 cuboctahedra, edges with twelve equivalent Yb(2)Yb10Mg2 cuboctahedra, faces with three equivalent Mg(1)Yb12 cuboctahedra, faces with five equivalent Yb(1)Yb9Mg3 cuboctahedra, and faces with twelve equivalent Yb(2)Yb10Mg2 cuboctahedra. In the second Yb site, Yb(2) is bonded to two equivalent Mg(1), four equivalent Yb(1), and six equivalent Yb(2) atoms to form YbYb10Mg2 cuboctahedra that share corners with eighteen equivalent Yb(2)Yb10Mg2 cuboctahedra, edges with four equivalent Mg(1)Yb12 cuboctahedra, edges with six equivalent Yb(2)Yb10Mg2 cuboctahedra, edges with eight equivalent Yb(1)Yb9Mg3 cuboctahedra, faces with four equivalent Mg(1)Yb12 cuboctahedra, faces with eight equivalent Yb(2)Yb10Mg2 cuboctahedra, and faces with eight equivalent Yb(1)Yb9Mg3 cuboctahedra. is represented by the CIF card [CIF]
data_Yb5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.394
_cell_length_b   6.394
_cell_length_c   6.051
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   214.237
_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
  Yb  Yb0  1  0.667  0.333  0.500  1.0
  Yb  Yb1  1  0.323  0.000  0.000  1.0
  Yb  Yb2  1  0.677  0.677  0.000  1.0
  Yb  Yb3  1  0.000  0.323  0.000  1.0
  Yb  Yb4  1  0.333  0.667  0.500  1.0
  Mg  Mg5  1  0.000  0.000  0.500  1.0
[/CIF]
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The compound described by MgYb5 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to six equivalent Yb(1) and six equivalent Yb(2) atoms to form MgYb12 cuboctahedra that share corners with eighteen equivalent Yb(1)Yb9Mg3 cuboctahedra, edges with six equivalent Mg(1)Yb12 cuboctahedra, edges with twelve equivalent Yb(2)Yb10Mg2 cuboctahedra, faces with two equivalent Mg(1)Yb12 cuboctahedra, faces with six equivalent Yb(1)Yb9Mg3 cuboctahedra, and faces with twelve equivalent Yb(2)Yb10Mg2 cuboctahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to three equivalent Mg(1), three equivalent Yb(1), and six equivalent Yb(2) atoms to form YbYb9Mg3 cuboctahedra that share corners with nine equivalent Mg(1)Yb12 cuboctahedra, corners with nine equivalent Yb(1)Yb9Mg3 cuboctahedra, edges with six equivalent Yb(1)Yb9Mg3 cuboctahedra, edges with twelve equivalent Yb(2)Yb10Mg2 cuboctahedra, faces with three equivalent Mg(1)Yb12 cuboctahedra, faces with five equivalent Yb(1)Yb9Mg3 cuboctahedra, and faces with twelve equivalent Yb(2)Yb10Mg2 cuboctahedra. In the second Yb site, Yb(2) is bonded to two equivalent Mg(1), four equivalent Yb(1), and six equivalent Yb(2) atoms to form YbYb10Mg2 cuboctahedra that share corners with eighteen equivalent Yb(2)Yb10Mg2 cuboctahedra, edges with four equivalent Mg(1)Yb12 cuboctahedra, edges with six equivalent Yb(2)Yb10Mg2 cuboctahedra, edges with eight equivalent Yb(1)Yb9Mg3 cuboctahedra, faces with four equivalent Mg(1)Yb12 cuboctahedra, faces with eight equivalent Yb(2)Yb10Mg2 cuboctahedra, and faces with eight equivalent Yb(1)Yb9Mg3 cuboctahedra. is represented by the CIF card [CIF]
data_Yb5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.394
_cell_length_b   6.394
_cell_length_c   6.051
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   214.237
_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
  Yb  Yb0  1  0.667  0.333  0.500  1.0
  Yb  Yb1  1  0.323  0.000  0.000  1.0
  Yb  Yb2  1  0.677  0.677  0.000  1.0
  Yb  Yb3  1  0.000  0.323  0.000  1.0
  Yb  Yb4  1  0.333  0.667  0.500  1.0
  Mg  Mg5  1  0.000  0.000  0.500  1.0
[/CIF]
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