The material described by LiEr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to twelve equivalent Er(1) atoms to form LiEr12 cuboctahedra that share corners with six equivalent Li(1)Er12 cuboctahedra, corners with twelve equivalent Er(1)Li4Er8 cuboctahedra, edges with eighteen equivalent Er(1)Li4Er8 cuboctahedra, faces with eight equivalent Li(1)Er12 cuboctahedra, and faces with twelve equivalent Er(1)Li4Er8 cuboctahedra. Er(1) is bonded to four equivalent Li(1) and eight equivalent Er(1) atoms to form distorted ErLi4Er8 cuboctahedra that share corners with four equivalent Li(1)Er12 cuboctahedra, corners with fourteen equivalent Er(1)Li4Er8 cuboctahedra, edges with six equivalent Li(1)Er12 cuboctahedra, edges with twelve equivalent Er(1)Li4Er8 cuboctahedra, faces with four equivalent Li(1)Er12 cuboctahedra, and faces with sixteen equivalent Er(1)Li4Er8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiEr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.915
_cell_length_b   6.915
_cell_length_c   5.496
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   227.593
_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
  Li  Li0  1  0.667  0.333  0.250  1.0
  Li  Li1  1  0.333  0.667  0.750  1.0
  Er  Er2  1  0.831  0.169  0.750  1.0
  Er  Er3  1  0.337  0.169  0.750  1.0
  Er  Er4  1  0.831  0.663  0.750  1.0
  Er  Er5  1  0.169  0.831  0.250  1.0
  Er  Er6  1  0.663  0.831  0.250  1.0
  Er  Er7  1  0.169  0.337  0.250  1.0
[/CIF]
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The material described by LiEr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to twelve equivalent Er(1) atoms to form LiEr12 cuboctahedra that share corners with six equivalent Li(1)Er12 cuboctahedra, corners with twelve equivalent Er(1)Li4Er8 cuboctahedra, edges with eighteen equivalent Er(1)Li4Er8 cuboctahedra, faces with eight equivalent Li(1)Er12 cuboctahedra, and faces with twelve equivalent Er(1)Li4Er8 cuboctahedra. Er(1) is bonded to four equivalent Li(1) and eight equivalent Er(1) atoms to form distorted ErLi4Er8 cuboctahedra that share corners with four equivalent Li(1)Er12 cuboctahedra, corners with fourteen equivalent Er(1)Li4Er8 cuboctahedra, edges with six equivalent Li(1)Er12 cuboctahedra, edges with twelve equivalent Er(1)Li4Er8 cuboctahedra, faces with four equivalent Li(1)Er12 cuboctahedra, and faces with sixteen equivalent Er(1)Li4Er8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiEr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.915
_cell_length_b   6.915
_cell_length_c   5.496
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   227.593
_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
  Li  Li0  1  0.667  0.333  0.250  1.0
  Li  Li1  1  0.333  0.667  0.750  1.0
  Er  Er2  1  0.831  0.169  0.750  1.0
  Er  Er3  1  0.337  0.169  0.750  1.0
  Er  Er4  1  0.831  0.663  0.750  1.0
  Er  Er5  1  0.169  0.831  0.250  1.0
  Er  Er6  1  0.663  0.831  0.250  1.0
  Er  Er7  1  0.169  0.337  0.250  1.0
[/CIF]
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