The structure described by YbY3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Yb(1) is bonded to four equivalent Y(2) and eight equivalent Y(1) atoms to form YbY12 cuboctahedra that share corners with four equivalent Yb(1)Y12 cuboctahedra, corners with eight equivalent Y(2)Yb4Y8 cuboctahedra, edges with eight equivalent Yb(1)Y12 cuboctahedra, edges with sixteen equivalent Y(1)Yb4Y8 cuboctahedra, faces with four equivalent Yb(1)Y12 cuboctahedra, faces with six equivalent Y(2)Yb4Y8 cuboctahedra, and faces with eight equivalent Y(1)Yb4Y8 cuboctahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Yb(1), four equivalent Y(1), and four equivalent Y(2) atoms to form YYb4Y8 cuboctahedra that share corners with twelve equivalent Y(1)Yb4Y8 cuboctahedra, edges with eight equivalent Yb(1)Y12 cuboctahedra, edges with eight equivalent Y(1)Yb4Y8 cuboctahedra, edges with eight equivalent Y(2)Yb4Y8 cuboctahedra, faces with four equivalent Yb(1)Y12 cuboctahedra, faces with four equivalent Y(2)Yb4Y8 cuboctahedra, and faces with ten equivalent Y(1)Yb4Y8 cuboctahedra. In the second Y site, Y(2) is bonded to four equivalent Yb(1) and eight equivalent Y(1) atoms to form YYb4Y8 cuboctahedra that share corners with four equivalent Y(2)Yb4Y8 cuboctahedra, corners with eight equivalent Yb(1)Y12 cuboctahedra, edges with eight equivalent Y(2)Yb4Y8 cuboctahedra, edges with sixteen equivalent Y(1)Yb4Y8 cuboctahedra, faces with four equivalent Y(2)Yb4Y8 cuboctahedra, faces with six equivalent Yb(1)Y12 cuboctahedra, and faces with eight equivalent Y(1)Yb4Y8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbY3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.280
_cell_length_b   6.280
_cell_length_c   6.280
_cell_angle_alpha   132.284
_cell_angle_beta   132.284
_cell_angle_gamma   69.781
_symmetry_Int_Tables_number   1
_cell_volume   132.953
_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  0.000  0.000  0.000  1.0
  Y  Y1  1  0.750  0.250  0.500  1.0
  Y  Y2  1  0.250  0.750  0.500  1.0
  Y  Y3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by YbY3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Yb(1) is bonded to four equivalent Y(2) and eight equivalent Y(1) atoms to form YbY12 cuboctahedra that share corners with four equivalent Yb(1)Y12 cuboctahedra, corners with eight equivalent Y(2)Yb4Y8 cuboctahedra, edges with eight equivalent Yb(1)Y12 cuboctahedra, edges with sixteen equivalent Y(1)Yb4Y8 cuboctahedra, faces with four equivalent Yb(1)Y12 cuboctahedra, faces with six equivalent Y(2)Yb4Y8 cuboctahedra, and faces with eight equivalent Y(1)Yb4Y8 cuboctahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Yb(1), four equivalent Y(1), and four equivalent Y(2) atoms to form YYb4Y8 cuboctahedra that share corners with twelve equivalent Y(1)Yb4Y8 cuboctahedra, edges with eight equivalent Yb(1)Y12 cuboctahedra, edges with eight equivalent Y(1)Yb4Y8 cuboctahedra, edges with eight equivalent Y(2)Yb4Y8 cuboctahedra, faces with four equivalent Yb(1)Y12 cuboctahedra, faces with four equivalent Y(2)Yb4Y8 cuboctahedra, and faces with ten equivalent Y(1)Yb4Y8 cuboctahedra. In the second Y site, Y(2) is bonded to four equivalent Yb(1) and eight equivalent Y(1) atoms to form YYb4Y8 cuboctahedra that share corners with four equivalent Y(2)Yb4Y8 cuboctahedra, corners with eight equivalent Yb(1)Y12 cuboctahedra, edges with eight equivalent Y(2)Yb4Y8 cuboctahedra, edges with sixteen equivalent Y(1)Yb4Y8 cuboctahedra, faces with four equivalent Y(2)Yb4Y8 cuboctahedra, faces with six equivalent Yb(1)Y12 cuboctahedra, and faces with eight equivalent Y(1)Yb4Y8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbY3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.280
_cell_length_b   6.280
_cell_length_c   6.280
_cell_angle_alpha   132.284
_cell_angle_beta   132.284
_cell_angle_gamma   69.781
_symmetry_Int_Tables_number   1
_cell_volume   132.953
_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  0.000  0.000  0.000  1.0
  Y  Y1  1  0.750  0.250  0.500  1.0
  Y  Y2  1  0.250  0.750  0.500  1.0
  Y  Y3  1  0.500  0.500  0.000  1.0
[/CIF]
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