The structure described by MgYb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve equivalent Yb(1) atoms to form MgYb12 cuboctahedra that share corners with six equivalent Mg(1)Yb12 cuboctahedra, corners with twelve equivalent Yb(1)Yb8Mg4 cuboctahedra, edges with eighteen equivalent Yb(1)Yb8Mg4 cuboctahedra, faces with eight equivalent Mg(1)Yb12 cuboctahedra, and faces with twelve equivalent Yb(1)Yb8Mg4 cuboctahedra. Yb(1) is bonded to four equivalent Mg(1) and eight equivalent Yb(1) atoms to form YbYb8Mg4 cuboctahedra that share corners with four equivalent Mg(1)Yb12 cuboctahedra, corners with fourteen equivalent Yb(1)Yb8Mg4 cuboctahedra, edges with six equivalent Mg(1)Yb12 cuboctahedra, edges with twelve equivalent Yb(1)Yb8Mg4 cuboctahedra, faces with four equivalent Mg(1)Yb12 cuboctahedra, and faces with sixteen equivalent Yb(1)Yb8Mg4 cuboctahedra. is represented by the CIF card [CIF]
data_Yb3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.265
_cell_length_b   7.265
_cell_length_c   5.913
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   270.268
_cell_formula_units_Z   2
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  0.170  0.340  0.250  1.0
  Yb  Yb1  1  0.170  0.830  0.250  1.0
  Yb  Yb2  1  0.660  0.830  0.250  1.0
  Yb  Yb3  1  0.340  0.170  0.750  1.0
  Yb  Yb4  1  0.830  0.170  0.750  1.0
  Yb  Yb5  1  0.830  0.660  0.750  1.0
  Mg  Mg6  1  0.667  0.333  0.250  1.0
  Mg  Mg7  1  0.333  0.667  0.750  1.0
[/CIF]
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The structure described by MgYb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve equivalent Yb(1) atoms to form MgYb12 cuboctahedra that share corners with six equivalent Mg(1)Yb12 cuboctahedra, corners with twelve equivalent Yb(1)Yb8Mg4 cuboctahedra, edges with eighteen equivalent Yb(1)Yb8Mg4 cuboctahedra, faces with eight equivalent Mg(1)Yb12 cuboctahedra, and faces with twelve equivalent Yb(1)Yb8Mg4 cuboctahedra. Yb(1) is bonded to four equivalent Mg(1) and eight equivalent Yb(1) atoms to form YbYb8Mg4 cuboctahedra that share corners with four equivalent Mg(1)Yb12 cuboctahedra, corners with fourteen equivalent Yb(1)Yb8Mg4 cuboctahedra, edges with six equivalent Mg(1)Yb12 cuboctahedra, edges with twelve equivalent Yb(1)Yb8Mg4 cuboctahedra, faces with four equivalent Mg(1)Yb12 cuboctahedra, and faces with sixteen equivalent Yb(1)Yb8Mg4 cuboctahedra. is represented by the CIF card [CIF]
data_Yb3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.265
_cell_length_b   7.265
_cell_length_c   5.913
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   270.268
_cell_formula_units_Z   2
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  0.170  0.340  0.250  1.0
  Yb  Yb1  1  0.170  0.830  0.250  1.0
  Yb  Yb2  1  0.660  0.830  0.250  1.0
  Yb  Yb3  1  0.340  0.170  0.750  1.0
  Yb  Yb4  1  0.830  0.170  0.750  1.0
  Yb  Yb5  1  0.830  0.660  0.750  1.0
  Mg  Mg6  1  0.667  0.333  0.250  1.0
  Mg  Mg7  1  0.333  0.667  0.750  1.0
[/CIF]
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