The structure described by LiDy3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to twelve equivalent Dy(1) atoms to form LiDy12 cuboctahedra that share corners with six equivalent Li(1)Dy12 cuboctahedra, corners with twelve equivalent Dy(1)Li4Dy8 cuboctahedra, edges with eighteen equivalent Dy(1)Li4Dy8 cuboctahedra, faces with eight equivalent Li(1)Dy12 cuboctahedra, and faces with twelve equivalent Dy(1)Li4Dy8 cuboctahedra. Dy(1) is bonded to four equivalent Li(1) and eight equivalent Dy(1) atoms to form distorted DyLi4Dy8 cuboctahedra that share corners with four equivalent Li(1)Dy12 cuboctahedra, corners with fourteen equivalent Dy(1)Li4Dy8 cuboctahedra, edges with six equivalent Li(1)Dy12 cuboctahedra, edges with twelve equivalent Dy(1)Li4Dy8 cuboctahedra, faces with four equivalent Li(1)Dy12 cuboctahedra, and faces with sixteen equivalent Dy(1)Li4Dy8 cuboctahedra. is represented by the CIF file [CIF]
data_LiDy3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.000
_cell_length_b   7.000
_cell_length_c   5.515
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   234.071
_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
  Dy  Dy2  1  0.831  0.169  0.750  1.0
  Dy  Dy3  1  0.338  0.169  0.750  1.0
  Dy  Dy4  1  0.831  0.662  0.750  1.0
  Dy  Dy5  1  0.169  0.831  0.250  1.0
  Dy  Dy6  1  0.662  0.831  0.250  1.0
  Dy  Dy7  1  0.169  0.338  0.250  1.0
[/CIF]
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The structure described by LiDy3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to twelve equivalent Dy(1) atoms to form LiDy12 cuboctahedra that share corners with six equivalent Li(1)Dy12 cuboctahedra, corners with twelve equivalent Dy(1)Li4Dy8 cuboctahedra, edges with eighteen equivalent Dy(1)Li4Dy8 cuboctahedra, faces with eight equivalent Li(1)Dy12 cuboctahedra, and faces with twelve equivalent Dy(1)Li4Dy8 cuboctahedra. Dy(1) is bonded to four equivalent Li(1) and eight equivalent Dy(1) atoms to form distorted DyLi4Dy8 cuboctahedra that share corners with four equivalent Li(1)Dy12 cuboctahedra, corners with fourteen equivalent Dy(1)Li4Dy8 cuboctahedra, edges with six equivalent Li(1)Dy12 cuboctahedra, edges with twelve equivalent Dy(1)Li4Dy8 cuboctahedra, faces with four equivalent Li(1)Dy12 cuboctahedra, and faces with sixteen equivalent Dy(1)Li4Dy8 cuboctahedra. is represented by the CIF file [CIF]
data_LiDy3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.000
_cell_length_b   7.000
_cell_length_c   5.515
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   234.071
_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
  Dy  Dy2  1  0.831  0.169  0.750  1.0
  Dy  Dy3  1  0.338  0.169  0.750  1.0
  Dy  Dy4  1  0.831  0.662  0.750  1.0
  Dy  Dy5  1  0.169  0.831  0.250  1.0
  Dy  Dy6  1  0.662  0.831  0.250  1.0
  Dy  Dy7  1  0.169  0.338  0.250  1.0
[/CIF]
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