The crystal structure described by CsLiF2 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), and four equivalent F(3) atoms. Li(1) is bonded to one F(1), one F(2), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing LiF4 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. In the third F site, F(3) is bonded in a distorted L-shaped geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsLiF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.984
_cell_length_b   6.537
_cell_length_c   8.095
_cell_angle_alpha   88.219
_cell_angle_beta   86.108
_cell_angle_gamma   62.760
_symmetry_Int_Tables_number   1
_cell_volume   280.884
_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
  Cs  Cs0  1  0.330  0.817  0.569  1.0
  Cs  Cs1  1  0.853  0.817  0.931  1.0
  Cs  Cs2  1  0.670  0.183  0.431  1.0
  Cs  Cs3  1  0.147  0.183  0.069  1.0
  Li  Li4  1  0.446  0.600  0.138  1.0
  Li  Li5  1  0.554  0.400  0.862  1.0
  Li  Li6  1  0.046  0.400  0.638  1.0
  Li  Li7  1  0.954  0.600  0.362  1.0
  F  F8  1  0.134  0.732  0.250  1.0
  F  F9  1  0.321  0.358  0.750  1.0
  F  F10  1  0.866  0.268  0.750  1.0
  F  F11  1  0.679  0.642  0.250  1.0
  F  F12  1  0.131  0.289  0.423  1.0
  F  F13  1  0.580  0.289  0.077  1.0
  F  F14  1  0.869  0.711  0.577  1.0
  F  F15  1  0.420  0.711  0.923  1.0
[/CIF]
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The crystal structure described by CsLiF2 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), and four equivalent F(3) atoms. Li(1) is bonded to one F(1), one F(2), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing LiF4 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. In the third F site, F(3) is bonded in a distorted L-shaped geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsLiF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.984
_cell_length_b   6.537
_cell_length_c   8.095
_cell_angle_alpha   88.219
_cell_angle_beta   86.108
_cell_angle_gamma   62.760
_symmetry_Int_Tables_number   1
_cell_volume   280.884
_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
  Cs  Cs0  1  0.330  0.817  0.569  1.0
  Cs  Cs1  1  0.853  0.817  0.931  1.0
  Cs  Cs2  1  0.670  0.183  0.431  1.0
  Cs  Cs3  1  0.147  0.183  0.069  1.0
  Li  Li4  1  0.446  0.600  0.138  1.0
  Li  Li5  1  0.554  0.400  0.862  1.0
  Li  Li6  1  0.046  0.400  0.638  1.0
  Li  Li7  1  0.954  0.600  0.362  1.0
  F  F8  1  0.134  0.732  0.250  1.0
  F  F9  1  0.321  0.358  0.750  1.0
  F  F10  1  0.866  0.268  0.750  1.0
  F  F11  1  0.679  0.642  0.250  1.0
  F  F12  1  0.131  0.289  0.423  1.0
  F  F13  1  0.580  0.289  0.077  1.0
  F  F14  1  0.869  0.711  0.577  1.0
  F  F15  1  0.420  0.711  0.923  1.0
[/CIF]
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