The structure described by LiYbF4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal pyramidal geometry to four equivalent F(1) atoms. In the second Li site, Li(1) is bonded in a distorted trigonal pyramidal geometry to four equivalent F(1) atoms. In the third Li site, Li(1) is bonded in a distorted trigonal pyramidal geometry to four equivalent F(1) atoms. In the fourth Li site, Li(1) is bonded in a distorted trigonal pyramidal geometry to four equivalent F(1) atoms. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted body-centered cubic geometry to eight equivalent F(1) atoms. In the second Yb site, Yb(1) is bonded in a distorted body-centered cubic geometry to eight equivalent F(1) atoms. In the third Yb site, Yb(1) is bonded in a distorted body-centered cubic geometry to eight equivalent F(1) atoms. In the fourth Yb site, Yb(1) is bonded in a distorted body-centered cubic geometry to eight equivalent F(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two Yb(1,1) atoms. is represented by the CIF file [CIF]
data_LiYbF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.341
_cell_length_b   5.342
_cell_length_c   6.066
_cell_angle_alpha   116.114
_cell_angle_beta   116.120
_cell_angle_gamma   90.008
_symmetry_Int_Tables_number   1
_cell_volume   135.448
_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  0.125  0.375  0.250  1.0
  Li  Li1  1  0.875  0.625  0.750  1.0
  Yb  Yb2  1  0.625  0.875  0.250  1.0
  Yb  Yb3  1  0.375  0.125  0.750  1.0
  F  F4  1  0.693  0.891  0.914  1.0
  F  F5  1  0.778  0.476  0.086  1.0
  F  F6  1  0.391  0.722  0.414  1.0
  F  F7  1  0.024  0.193  0.414  1.0
  F  F8  1  0.222  0.524  0.914  1.0
  F  F9  1  0.976  0.807  0.586  1.0
  F  F10  1  0.307  0.109  0.086  1.0
  F  F11  1  0.609  0.278  0.586  1.0
[/CIF]
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The structure described by LiYbF4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal pyramidal geometry to four equivalent F(1) atoms. In the second Li site, Li(1) is bonded in a distorted trigonal pyramidal geometry to four equivalent F(1) atoms. In the third Li site, Li(1) is bonded in a distorted trigonal pyramidal geometry to four equivalent F(1) atoms. In the fourth Li site, Li(1) is bonded in a distorted trigonal pyramidal geometry to four equivalent F(1) atoms. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted body-centered cubic geometry to eight equivalent F(1) atoms. In the second Yb site, Yb(1) is bonded in a distorted body-centered cubic geometry to eight equivalent F(1) atoms. In the third Yb site, Yb(1) is bonded in a distorted body-centered cubic geometry to eight equivalent F(1) atoms. In the fourth Yb site, Yb(1) is bonded in a distorted body-centered cubic geometry to eight equivalent F(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two Yb(1,1) atoms. is represented by the CIF file [CIF]
data_LiYbF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.341
_cell_length_b   5.342
_cell_length_c   6.066
_cell_angle_alpha   116.114
_cell_angle_beta   116.120
_cell_angle_gamma   90.008
_symmetry_Int_Tables_number   1
_cell_volume   135.448
_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  0.125  0.375  0.250  1.0
  Li  Li1  1  0.875  0.625  0.750  1.0
  Yb  Yb2  1  0.625  0.875  0.250  1.0
  Yb  Yb3  1  0.375  0.125  0.750  1.0
  F  F4  1  0.693  0.891  0.914  1.0
  F  F5  1  0.778  0.476  0.086  1.0
  F  F6  1  0.391  0.722  0.414  1.0
  F  F7  1  0.024  0.193  0.414  1.0
  F  F8  1  0.222  0.524  0.914  1.0
  F  F9  1  0.976  0.807  0.586  1.0
  F  F10  1  0.307  0.109  0.086  1.0
  F  F11  1  0.609  0.278  0.586  1.0
[/CIF]
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