The crystal structure described by LiLuF2 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. Lu(1) is bonded in a distorted hexagonal planar geometry to six equivalent F(1) atoms. F(1) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Lu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiLuF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.705
_cell_length_b   7.705
_cell_length_c   7.705
_cell_angle_alpha   131.132
_cell_angle_beta   131.132
_cell_angle_gamma   71.603
_symmetry_Int_Tables_number   1
_cell_volume   253.867
_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
  Lu  Lu4  1  0.875  0.625  0.250  1.0
  Lu  Lu5  1  0.375  0.625  0.750  1.0
  Lu  Lu6  1  0.375  0.625  0.250  1.0
  Lu  Lu7  1  0.375  0.125  0.750  1.0
  F  F8  1  0.191  0.461  0.270  1.0
  F  F9  1  0.191  0.921  0.730  1.0
  F  F10  1  0.211  0.441  0.770  1.0
  F  F11  1  0.559  0.789  0.230  1.0
  F  F12  1  0.671  0.441  0.230  1.0
  F  F13  1  0.559  0.329  0.770  1.0
  F  F14  1  0.539  0.809  0.730  1.0
  F  F15  1  0.079  0.809  0.270  1.0
[/CIF]
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The crystal structure described by LiLuF2 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. Lu(1) is bonded in a distorted hexagonal planar geometry to six equivalent F(1) atoms. F(1) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Lu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiLuF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.705
_cell_length_b   7.705
_cell_length_c   7.705
_cell_angle_alpha   131.132
_cell_angle_beta   131.132
_cell_angle_gamma   71.603
_symmetry_Int_Tables_number   1
_cell_volume   253.867
_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
  Lu  Lu4  1  0.875  0.625  0.250  1.0
  Lu  Lu5  1  0.375  0.625  0.750  1.0
  Lu  Lu6  1  0.375  0.625  0.250  1.0
  Lu  Lu7  1  0.375  0.125  0.750  1.0
  F  F8  1  0.191  0.461  0.270  1.0
  F  F9  1  0.191  0.921  0.730  1.0
  F  F10  1  0.211  0.441  0.770  1.0
  F  F11  1  0.559  0.789  0.230  1.0
  F  F12  1  0.671  0.441  0.230  1.0
  F  F13  1  0.559  0.329  0.770  1.0
  F  F14  1  0.539  0.809  0.730  1.0
  F  F15  1  0.079  0.809  0.270  1.0
[/CIF]
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