The compound described by LaY3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. La(1) is bonded to four equivalent Y(2) and eight equivalent Y(1) atoms to form LaY12 cuboctahedra that share corners with four equivalent La(1)Y12 cuboctahedra, corners with eight equivalent Y(2)La4Y8 cuboctahedra, edges with eight equivalent La(1)Y12 cuboctahedra, edges with sixteen equivalent Y(1)La4Y8 cuboctahedra, faces with four equivalent La(1)Y12 cuboctahedra, faces with six equivalent Y(2)La4Y8 cuboctahedra, and faces with eight equivalent Y(1)La4Y8 cuboctahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent La(1), four equivalent Y(1), and four equivalent Y(2) atoms to form YLa4Y8 cuboctahedra that share corners with twelve equivalent Y(1)La4Y8 cuboctahedra, edges with eight equivalent La(1)Y12 cuboctahedra, edges with eight equivalent Y(1)La4Y8 cuboctahedra, edges with eight equivalent Y(2)La4Y8 cuboctahedra, faces with four equivalent La(1)Y12 cuboctahedra, faces with four equivalent Y(2)La4Y8 cuboctahedra, and faces with ten equivalent Y(1)La4Y8 cuboctahedra. In the second Y site, Y(2) is bonded to four equivalent La(1) and eight equivalent Y(1) atoms to form YLa4Y8 cuboctahedra that share corners with four equivalent Y(2)La4Y8 cuboctahedra, corners with eight equivalent La(1)Y12 cuboctahedra, edges with eight equivalent Y(2)La4Y8 cuboctahedra, edges with sixteen equivalent Y(1)La4Y8 cuboctahedra, faces with four equivalent Y(2)La4Y8 cuboctahedra, faces with six equivalent La(1)Y12 cuboctahedra, and faces with eight equivalent Y(1)La4Y8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaY3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.258
_cell_length_b   6.258
_cell_length_c   6.258
_cell_angle_alpha   130.661
_cell_angle_beta   130.661
_cell_angle_gamma   72.353
_symmetry_Int_Tables_number   1
_cell_volume   137.842
_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
  La  La0  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 compound described by LaY3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. La(1) is bonded to four equivalent Y(2) and eight equivalent Y(1) atoms to form LaY12 cuboctahedra that share corners with four equivalent La(1)Y12 cuboctahedra, corners with eight equivalent Y(2)La4Y8 cuboctahedra, edges with eight equivalent La(1)Y12 cuboctahedra, edges with sixteen equivalent Y(1)La4Y8 cuboctahedra, faces with four equivalent La(1)Y12 cuboctahedra, faces with six equivalent Y(2)La4Y8 cuboctahedra, and faces with eight equivalent Y(1)La4Y8 cuboctahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent La(1), four equivalent Y(1), and four equivalent Y(2) atoms to form YLa4Y8 cuboctahedra that share corners with twelve equivalent Y(1)La4Y8 cuboctahedra, edges with eight equivalent La(1)Y12 cuboctahedra, edges with eight equivalent Y(1)La4Y8 cuboctahedra, edges with eight equivalent Y(2)La4Y8 cuboctahedra, faces with four equivalent La(1)Y12 cuboctahedra, faces with four equivalent Y(2)La4Y8 cuboctahedra, and faces with ten equivalent Y(1)La4Y8 cuboctahedra. In the second Y site, Y(2) is bonded to four equivalent La(1) and eight equivalent Y(1) atoms to form YLa4Y8 cuboctahedra that share corners with four equivalent Y(2)La4Y8 cuboctahedra, corners with eight equivalent La(1)Y12 cuboctahedra, edges with eight equivalent Y(2)La4Y8 cuboctahedra, edges with sixteen equivalent Y(1)La4Y8 cuboctahedra, faces with four equivalent Y(2)La4Y8 cuboctahedra, faces with six equivalent La(1)Y12 cuboctahedra, and faces with eight equivalent Y(1)La4Y8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaY3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.258
_cell_length_b   6.258
_cell_length_c   6.258
_cell_angle_alpha   130.661
_cell_angle_beta   130.661
_cell_angle_gamma   72.353
_symmetry_Int_Tables_number   1
_cell_volume   137.842
_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
  La  La0  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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