The compound described by LiHoF2 crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. Ho(1) is bonded to six equivalent F(1) atoms to form distorted edge-sharing HoF6 octahedra. F(1) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Ho(1) atoms. is represented by the CIF file [CIF]
data_LiHoF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.859
_cell_length_b   7.859
_cell_length_c   7.859
_cell_angle_alpha   132.200
_cell_angle_beta   132.200
_cell_angle_gamma   69.913
_symmetry_Int_Tables_number   1
_cell_volume   261.151
_cell_formula_units_Z   4
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  0.375  0.125  0.250  1.0
  Li  Li1  1  0.875  0.125  0.750  1.0
  Li  Li2  1  0.875  0.125  0.250  1.0
  Li  Li3  1  0.875  0.625  0.750  1.0
  Ho  Ho4  1  0.875  0.625  0.250  1.0
  Ho  Ho5  1  0.375  0.625  0.750  1.0
  Ho  Ho6  1  0.375  0.625  0.250  1.0
  Ho  Ho7  1  0.375  0.125  0.750  1.0
  F  F8  1  0.193  0.452  0.259  1.0
  F  F9  1  0.193  0.935  0.741  1.0
  F  F10  1  0.202  0.443  0.759  1.0
  F  F11  1  0.557  0.798  0.241  1.0
  F  F12  1  0.685  0.443  0.241  1.0
  F  F13  1  0.557  0.315  0.759  1.0
  F  F14  1  0.548  0.807  0.741  1.0
  F  F15  1  0.065  0.807  0.259  1.0
[/CIF]
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The compound described by LiHoF2 crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. Ho(1) is bonded to six equivalent F(1) atoms to form distorted edge-sharing HoF6 octahedra. F(1) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Ho(1) atoms. is represented by the CIF file [CIF]
data_LiHoF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.859
_cell_length_b   7.859
_cell_length_c   7.859
_cell_angle_alpha   132.200
_cell_angle_beta   132.200
_cell_angle_gamma   69.913
_symmetry_Int_Tables_number   1
_cell_volume   261.151
_cell_formula_units_Z   4
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  0.375  0.125  0.250  1.0
  Li  Li1  1  0.875  0.125  0.750  1.0
  Li  Li2  1  0.875  0.125  0.250  1.0
  Li  Li3  1  0.875  0.625  0.750  1.0
  Ho  Ho4  1  0.875  0.625  0.250  1.0
  Ho  Ho5  1  0.375  0.625  0.750  1.0
  Ho  Ho6  1  0.375  0.625  0.250  1.0
  Ho  Ho7  1  0.375  0.125  0.750  1.0
  F  F8  1  0.193  0.452  0.259  1.0
  F  F9  1  0.193  0.935  0.741  1.0
  F  F10  1  0.202  0.443  0.759  1.0
  F  F11  1  0.557  0.798  0.241  1.0
  F  F12  1  0.685  0.443  0.241  1.0
  F  F13  1  0.557  0.315  0.759  1.0
  F  F14  1  0.548  0.807  0.741  1.0
  F  F15  1  0.065  0.807  0.259  1.0
[/CIF]
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