The material described by LiHf is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded to six equivalent Li(1) and six equivalent Hf(1) atoms to form LiLi6Hf6 cuboctahedra that share corners with eighteen equivalent Li(1)Li6Hf6 cuboctahedra, edges with six equivalent Li(1)Li6Hf6 cuboctahedra, edges with twelve equivalent Hf(1)Li6Hf6 cuboctahedra, faces with eight equivalent Li(1)Li6Hf6 cuboctahedra, and faces with twelve equivalent Hf(1)Li6Hf6 cuboctahedra. Hf(1) is bonded to six equivalent Li(1) and six equivalent Hf(1) atoms to form HfLi6Hf6 cuboctahedra that share corners with eighteen equivalent Hf(1)Li6Hf6 cuboctahedra, edges with six equivalent Hf(1)Li6Hf6 cuboctahedra, edges with twelve equivalent Li(1)Li6Hf6 cuboctahedra, faces with eight equivalent Hf(1)Li6Hf6 cuboctahedra, and faces with twelve equivalent Li(1)Li6Hf6 cuboctahedra. is represented by the CIF file [CIF]
data_LiHf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.960
_cell_length_b   2.960
_cell_length_c   5.463
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   41.438
_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
  Hf  Hf1  1  0.333  0.667  0.500  1.0
[/CIF]
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The material described by LiHf is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded to six equivalent Li(1) and six equivalent Hf(1) atoms to form LiLi6Hf6 cuboctahedra that share corners with eighteen equivalent Li(1)Li6Hf6 cuboctahedra, edges with six equivalent Li(1)Li6Hf6 cuboctahedra, edges with twelve equivalent Hf(1)Li6Hf6 cuboctahedra, faces with eight equivalent Li(1)Li6Hf6 cuboctahedra, and faces with twelve equivalent Hf(1)Li6Hf6 cuboctahedra. Hf(1) is bonded to six equivalent Li(1) and six equivalent Hf(1) atoms to form HfLi6Hf6 cuboctahedra that share corners with eighteen equivalent Hf(1)Li6Hf6 cuboctahedra, edges with six equivalent Hf(1)Li6Hf6 cuboctahedra, edges with twelve equivalent Li(1)Li6Hf6 cuboctahedra, faces with eight equivalent Hf(1)Li6Hf6 cuboctahedra, and faces with twelve equivalent Li(1)Li6Hf6 cuboctahedra. is represented by the CIF file [CIF]
data_LiHf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.960
_cell_length_b   2.960
_cell_length_c   5.463
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   41.438
_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
  Hf  Hf1  1  0.333  0.667  0.500  1.0
[/CIF]
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