The compound described by LiYF4 is Zircon-like structured and crystallizes in the monoclinic P2/c space group. Li(1) is bonded in a distorted tetrahedral geometry to two equivalent F(1) and two equivalent F(2) atoms. Y(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Y(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_LiYF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.289
_cell_length_b   4.999
_cell_length_c   5.286
_cell_angle_alpha   89.254
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   139.754
_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  0.756  0.000  0.750  1.0
  Li  Li1  1  0.244  0.000  0.250  1.0
  Y  Y2  1  0.749  0.500  0.250  1.0
  Y  Y3  1  0.251  0.500  0.750  1.0
  F  F4  1  0.434  0.261  0.069  1.0
  F  F5  1  0.434  0.739  0.431  1.0
  F  F6  1  0.935  0.260  0.938  1.0
  F  F7  1  0.935  0.740  0.562  1.0
  F  F8  1  0.065  0.740  0.062  1.0
  F  F9  1  0.065  0.260  0.438  1.0
  F  F10  1  0.566  0.261  0.569  1.0
  F  F11  1  0.566  0.739  0.931  1.0
[/CIF]
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The compound described by LiYF4 is Zircon-like structured and crystallizes in the monoclinic P2/c space group. Li(1) is bonded in a distorted tetrahedral geometry to two equivalent F(1) and two equivalent F(2) atoms. Y(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Y(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_LiYF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.289
_cell_length_b   4.999
_cell_length_c   5.286
_cell_angle_alpha   89.254
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   139.754
_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  0.756  0.000  0.750  1.0
  Li  Li1  1  0.244  0.000  0.250  1.0
  Y  Y2  1  0.749  0.500  0.250  1.0
  Y  Y3  1  0.251  0.500  0.750  1.0
  F  F4  1  0.434  0.261  0.069  1.0
  F  F5  1  0.434  0.739  0.431  1.0
  F  F6  1  0.935  0.260  0.938  1.0
  F  F7  1  0.935  0.740  0.562  1.0
  F  F8  1  0.065  0.740  0.062  1.0
  F  F9  1  0.065  0.260  0.438  1.0
  F  F10  1  0.566  0.261  0.569  1.0
  F  F11  1  0.566  0.739  0.931  1.0
[/CIF]
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