The material described by CeY3 crystallizes in the tetragonal I4/mmm space group. Ce(1) is bonded to four equivalent Y(2) and eight equivalent Y(1) atoms to form CeY12 cuboctahedra that share corners with four equivalent Ce(1)Y12 cuboctahedra, corners with eight equivalent Y(2)Ce4Y8 cuboctahedra, edges with eight equivalent Ce(1)Y12 cuboctahedra, edges with sixteen equivalent Y(1)Ce4Y8 cuboctahedra, faces with four equivalent Ce(1)Y12 cuboctahedra, faces with six equivalent Y(2)Ce4Y8 cuboctahedra, and faces with eight equivalent Y(1)Ce4Y8 cuboctahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Ce(1), four equivalent Y(1), and four equivalent Y(2) atoms to form YCe4Y8 cuboctahedra that share corners with twelve equivalent Y(1)Ce4Y8 cuboctahedra, edges with eight equivalent Ce(1)Y12 cuboctahedra, edges with eight equivalent Y(1)Ce4Y8 cuboctahedra, edges with eight equivalent Y(2)Ce4Y8 cuboctahedra, faces with four equivalent Ce(1)Y12 cuboctahedra, faces with four equivalent Y(2)Ce4Y8 cuboctahedra, and faces with ten equivalent Y(1)Ce4Y8 cuboctahedra. In the second Y site, Y(2) is bonded to four equivalent Ce(1) and eight equivalent Y(1) atoms to form YCe4Y8 cuboctahedra that share corners with four equivalent Y(2)Ce4Y8 cuboctahedra, corners with eight equivalent Ce(1)Y12 cuboctahedra, edges with eight equivalent Y(2)Ce4Y8 cuboctahedra, edges with sixteen equivalent Y(1)Ce4Y8 cuboctahedra, faces with four equivalent Y(2)Ce4Y8 cuboctahedra, faces with six equivalent Ce(1)Y12 cuboctahedra, and faces with eight equivalent Y(1)Ce4Y8 cuboctahedra. is represented by the CIF card [CIF]
data_CeY3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.120
_cell_length_b   6.120
_cell_length_c   6.120
_cell_angle_alpha   131.549
_cell_angle_beta   131.549
_cell_angle_gamma   70.942
_symmetry_Int_Tables_number   1
_cell_volume   125.707
_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
  Ce  Ce0  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 material described by CeY3 crystallizes in the tetragonal I4/mmm space group. Ce(1) is bonded to four equivalent Y(2) and eight equivalent Y(1) atoms to form CeY12 cuboctahedra that share corners with four equivalent Ce(1)Y12 cuboctahedra, corners with eight equivalent Y(2)Ce4Y8 cuboctahedra, edges with eight equivalent Ce(1)Y12 cuboctahedra, edges with sixteen equivalent Y(1)Ce4Y8 cuboctahedra, faces with four equivalent Ce(1)Y12 cuboctahedra, faces with six equivalent Y(2)Ce4Y8 cuboctahedra, and faces with eight equivalent Y(1)Ce4Y8 cuboctahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Ce(1), four equivalent Y(1), and four equivalent Y(2) atoms to form YCe4Y8 cuboctahedra that share corners with twelve equivalent Y(1)Ce4Y8 cuboctahedra, edges with eight equivalent Ce(1)Y12 cuboctahedra, edges with eight equivalent Y(1)Ce4Y8 cuboctahedra, edges with eight equivalent Y(2)Ce4Y8 cuboctahedra, faces with four equivalent Ce(1)Y12 cuboctahedra, faces with four equivalent Y(2)Ce4Y8 cuboctahedra, and faces with ten equivalent Y(1)Ce4Y8 cuboctahedra. In the second Y site, Y(2) is bonded to four equivalent Ce(1) and eight equivalent Y(1) atoms to form YCe4Y8 cuboctahedra that share corners with four equivalent Y(2)Ce4Y8 cuboctahedra, corners with eight equivalent Ce(1)Y12 cuboctahedra, edges with eight equivalent Y(2)Ce4Y8 cuboctahedra, edges with sixteen equivalent Y(1)Ce4Y8 cuboctahedra, faces with four equivalent Y(2)Ce4Y8 cuboctahedra, faces with six equivalent Ce(1)Y12 cuboctahedra, and faces with eight equivalent Y(1)Ce4Y8 cuboctahedra. is represented by the CIF card [CIF]
data_CeY3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.120
_cell_length_b   6.120
_cell_length_c   6.120
_cell_angle_alpha   131.549
_cell_angle_beta   131.549
_cell_angle_gamma   70.942
_symmetry_Int_Tables_number   1
_cell_volume   125.707
_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
  Ce  Ce0  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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