The material described by Lu3Ce is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to eight equivalent Lu(1) and four equivalent Ce(1) atoms to form LuCe4Lu8 cuboctahedra that share corners with four equivalent Ce(1)Lu12 cuboctahedra, corners with fourteen equivalent Lu(1)Ce4Lu8 cuboctahedra, edges with six equivalent Ce(1)Lu12 cuboctahedra, edges with twelve equivalent Lu(1)Ce4Lu8 cuboctahedra, faces with four equivalent Ce(1)Lu12 cuboctahedra, and faces with sixteen equivalent Lu(1)Ce4Lu8 cuboctahedra. Ce(1) is bonded to twelve equivalent Lu(1) atoms to form CeLu12 cuboctahedra that share corners with six equivalent Ce(1)Lu12 cuboctahedra, corners with twelve equivalent Lu(1)Ce4Lu8 cuboctahedra, edges with eighteen equivalent Lu(1)Ce4Lu8 cuboctahedra, faces with eight equivalent Ce(1)Lu12 cuboctahedra, and faces with twelve equivalent Lu(1)Ce4Lu8 cuboctahedra. is represented by the CIF card [CIF]
data_CeLu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.061
_cell_length_b   7.058
_cell_length_c   5.635
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.011
_symmetry_Int_Tables_number   1
_cell_volume   243.185
_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
  Ce  Ce0  1  0.333  0.667  0.750  1.0
  Ce  Ce1  1  0.667  0.333  0.250  1.0
  Lu  Lu2  1  0.166  0.332  0.250  1.0
  Lu  Lu3  1  0.668  0.834  0.250  1.0
  Lu  Lu4  1  0.166  0.834  0.250  1.0
  Lu  Lu5  1  0.834  0.668  0.750  1.0
  Lu  Lu6  1  0.332  0.166  0.750  1.0
  Lu  Lu7  1  0.834  0.166  0.750  1.0
[/CIF]
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The material described by Lu3Ce is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to eight equivalent Lu(1) and four equivalent Ce(1) atoms to form LuCe4Lu8 cuboctahedra that share corners with four equivalent Ce(1)Lu12 cuboctahedra, corners with fourteen equivalent Lu(1)Ce4Lu8 cuboctahedra, edges with six equivalent Ce(1)Lu12 cuboctahedra, edges with twelve equivalent Lu(1)Ce4Lu8 cuboctahedra, faces with four equivalent Ce(1)Lu12 cuboctahedra, and faces with sixteen equivalent Lu(1)Ce4Lu8 cuboctahedra. Ce(1) is bonded to twelve equivalent Lu(1) atoms to form CeLu12 cuboctahedra that share corners with six equivalent Ce(1)Lu12 cuboctahedra, corners with twelve equivalent Lu(1)Ce4Lu8 cuboctahedra, edges with eighteen equivalent Lu(1)Ce4Lu8 cuboctahedra, faces with eight equivalent Ce(1)Lu12 cuboctahedra, and faces with twelve equivalent Lu(1)Ce4Lu8 cuboctahedra. is represented by the CIF card [CIF]
data_CeLu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.061
_cell_length_b   7.058
_cell_length_c   5.635
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.011
_symmetry_Int_Tables_number   1
_cell_volume   243.185
_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
  Ce  Ce0  1  0.333  0.667  0.750  1.0
  Ce  Ce1  1  0.667  0.333  0.250  1.0
  Lu  Lu2  1  0.166  0.332  0.250  1.0
  Lu  Lu3  1  0.668  0.834  0.250  1.0
  Lu  Lu4  1  0.166  0.834  0.250  1.0
  Lu  Lu5  1  0.834  0.668  0.750  1.0
  Lu  Lu6  1  0.332  0.166  0.750  1.0
  Lu  Lu7  1  0.834  0.166  0.750  1.0
[/CIF]
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