The material structure described by LiEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded to four equivalent Eu(2) and eight equivalent Eu(1) atoms to form LiEu12 cuboctahedra that share corners with four equivalent Li(1)Eu12 cuboctahedra, corners with eight equivalent Eu(2)Li4Eu8 cuboctahedra, edges with eight equivalent Li(1)Eu12 cuboctahedra, edges with sixteen equivalent Eu(1)Li4Eu8 cuboctahedra, faces with four equivalent Li(1)Eu12 cuboctahedra, faces with six equivalent Eu(2)Li4Eu8 cuboctahedra, and faces with eight equivalent Eu(1)Li4Eu8 cuboctahedra. There are two inequivalent Eu sites. In the first Eu site, Eu(1) is bonded to four equivalent Li(1), four equivalent Eu(1), and four equivalent Eu(2) atoms to form EuLi4Eu8 cuboctahedra that share corners with twelve equivalent Eu(1)Li4Eu8 cuboctahedra, edges with eight equivalent Li(1)Eu12 cuboctahedra, edges with eight equivalent Eu(1)Li4Eu8 cuboctahedra, edges with eight equivalent Eu(2)Li4Eu8 cuboctahedra, faces with four equivalent Li(1)Eu12 cuboctahedra, faces with four equivalent Eu(2)Li4Eu8 cuboctahedra, and faces with ten equivalent Eu(1)Li4Eu8 cuboctahedra. In the second Eu site, Eu(2) is bonded to four equivalent Li(1) and eight equivalent Eu(1) atoms to form distorted EuLi4Eu8 cuboctahedra that share corners with four equivalent Eu(2)Li4Eu8 cuboctahedra, corners with eight equivalent Li(1)Eu12 cuboctahedra, edges with eight equivalent Eu(2)Li4Eu8 cuboctahedra, edges with sixteen equivalent Eu(1)Li4Eu8 cuboctahedra, faces with four equivalent Eu(2)Li4Eu8 cuboctahedra, faces with six equivalent Li(1)Eu12 cuboctahedra, and faces with eight equivalent Eu(1)Li4Eu8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiEu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.807
_cell_length_b   6.807
_cell_length_c   6.807
_cell_angle_alpha   135.091
_cell_angle_beta   135.091
_cell_angle_gamma   65.390
_symmetry_Int_Tables_number   1
_cell_volume   154.927
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Eu  Eu1  1  0.750  0.250  0.500  1.0
  Eu  Eu2  1  0.250  0.750  0.500  1.0
  Eu  Eu3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by LiEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded to four equivalent Eu(2) and eight equivalent Eu(1) atoms to form LiEu12 cuboctahedra that share corners with four equivalent Li(1)Eu12 cuboctahedra, corners with eight equivalent Eu(2)Li4Eu8 cuboctahedra, edges with eight equivalent Li(1)Eu12 cuboctahedra, edges with sixteen equivalent Eu(1)Li4Eu8 cuboctahedra, faces with four equivalent Li(1)Eu12 cuboctahedra, faces with six equivalent Eu(2)Li4Eu8 cuboctahedra, and faces with eight equivalent Eu(1)Li4Eu8 cuboctahedra. There are two inequivalent Eu sites. In the first Eu site, Eu(1) is bonded to four equivalent Li(1), four equivalent Eu(1), and four equivalent Eu(2) atoms to form EuLi4Eu8 cuboctahedra that share corners with twelve equivalent Eu(1)Li4Eu8 cuboctahedra, edges with eight equivalent Li(1)Eu12 cuboctahedra, edges with eight equivalent Eu(1)Li4Eu8 cuboctahedra, edges with eight equivalent Eu(2)Li4Eu8 cuboctahedra, faces with four equivalent Li(1)Eu12 cuboctahedra, faces with four equivalent Eu(2)Li4Eu8 cuboctahedra, and faces with ten equivalent Eu(1)Li4Eu8 cuboctahedra. In the second Eu site, Eu(2) is bonded to four equivalent Li(1) and eight equivalent Eu(1) atoms to form distorted EuLi4Eu8 cuboctahedra that share corners with four equivalent Eu(2)Li4Eu8 cuboctahedra, corners with eight equivalent Li(1)Eu12 cuboctahedra, edges with eight equivalent Eu(2)Li4Eu8 cuboctahedra, edges with sixteen equivalent Eu(1)Li4Eu8 cuboctahedra, faces with four equivalent Eu(2)Li4Eu8 cuboctahedra, faces with six equivalent Li(1)Eu12 cuboctahedra, and faces with eight equivalent Eu(1)Li4Eu8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiEu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.807
_cell_length_b   6.807
_cell_length_c   6.807
_cell_angle_alpha   135.091
_cell_angle_beta   135.091
_cell_angle_gamma   65.390
_symmetry_Int_Tables_number   1
_cell_volume   154.927
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Eu  Eu1  1  0.750  0.250  0.500  1.0
  Eu  Eu2  1  0.250  0.750  0.500  1.0
  Eu  Eu3  1  0.500  0.500  0.000  1.0
[/CIF]
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