The structure described by LiYF4 is Zircon-like structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. Y(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. There are four 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. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Y(1) atoms. In the fourth F site, F(4) 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   5.136
_cell_length_b   5.151
_cell_length_c   6.470
_cell_angle_alpha   113.241
_cell_angle_beta   113.197
_cell_angle_gamma   90.367
_symmetry_Int_Tables_number   1
_cell_volume   141.880
_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  0.375  0.123  0.746  1.0
  Li  Li1  1  0.625  0.877  0.254  1.0
  Y  Y2  1  0.125  0.375  0.249  1.0
  Y  Y3  1  0.875  0.625  0.751  1.0
  F  F4  1  0.459  0.764  0.587  1.0
  F  F5  1  0.264  0.632  0.088  1.0
  F  F6  1  0.871  0.677  0.412  1.0
  F  F7  1  0.823  0.956  0.088  1.0
  F  F8  1  0.541  0.236  0.413  1.0
  F  F9  1  0.129  0.323  0.588  1.0
  F  F10  1  0.177  0.044  0.912  1.0
  F  F11  1  0.736  0.368  0.912  1.0
[/CIF]
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The structure described by LiYF4 is Zircon-like structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. Y(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. There are four 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. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Y(1) atoms. In the fourth F site, F(4) 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   5.136
_cell_length_b   5.151
_cell_length_c   6.470
_cell_angle_alpha   113.241
_cell_angle_beta   113.197
_cell_angle_gamma   90.367
_symmetry_Int_Tables_number   1
_cell_volume   141.880
_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  0.375  0.123  0.746  1.0
  Li  Li1  1  0.625  0.877  0.254  1.0
  Y  Y2  1  0.125  0.375  0.249  1.0
  Y  Y3  1  0.875  0.625  0.751  1.0
  F  F4  1  0.459  0.764  0.587  1.0
  F  F5  1  0.264  0.632  0.088  1.0
  F  F6  1  0.871  0.677  0.412  1.0
  F  F7  1  0.823  0.956  0.088  1.0
  F  F8  1  0.541  0.236  0.413  1.0
  F  F9  1  0.129  0.323  0.588  1.0
  F  F10  1  0.177  0.044  0.912  1.0
  F  F11  1  0.736  0.368  0.912  1.0
[/CIF]
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