The material described by LiScF4 crystallizes in the tetragonal I4_1/a space group. Li(1) is bonded in a distorted tetrahedral geometry to four equivalent F(1) atoms. Sc(1) is bonded in a 8-coordinate geometry to eight equivalent F(1) atoms. F(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Sc(1) atoms. is represented by the CIF card [CIF]
data_LiScF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.221
_cell_length_b   6.221
_cell_length_c   6.221
_cell_angle_alpha   132.028
_cell_angle_beta   132.028
_cell_angle_gamma   70.184
_symmetry_Int_Tables_number   1
_cell_volume   130.196
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.750  0.250  0.500  1.0
  Sc  Sc2  1  0.250  0.750  0.500  1.0
  Sc  Sc3  1  0.500  0.500  0.000  1.0
  F  F4  1  0.259  0.370  0.468  1.0
  F  F5  1  0.902  0.791  0.532  1.0
  F  F6  1  0.120  0.152  0.611  1.0
  F  F7  1  0.630  0.098  0.889  1.0
  F  F8  1  0.209  0.741  0.111  1.0
  F  F9  1  0.848  0.459  0.968  1.0
  F  F10  1  0.541  0.509  0.389  1.0
  F  F11  1  0.491  0.880  0.032  1.0
[/CIF]
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The material described by LiScF4 crystallizes in the tetragonal I4_1/a space group. Li(1) is bonded in a distorted tetrahedral geometry to four equivalent F(1) atoms. Sc(1) is bonded in a 8-coordinate geometry to eight equivalent F(1) atoms. F(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Sc(1) atoms. is represented by the CIF card [CIF]
data_LiScF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.221
_cell_length_b   6.221
_cell_length_c   6.221
_cell_angle_alpha   132.028
_cell_angle_beta   132.028
_cell_angle_gamma   70.184
_symmetry_Int_Tables_number   1
_cell_volume   130.196
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.750  0.250  0.500  1.0
  Sc  Sc2  1  0.250  0.750  0.500  1.0
  Sc  Sc3  1  0.500  0.500  0.000  1.0
  F  F4  1  0.259  0.370  0.468  1.0
  F  F5  1  0.902  0.791  0.532  1.0
  F  F6  1  0.120  0.152  0.611  1.0
  F  F7  1  0.630  0.098  0.889  1.0
  F  F8  1  0.209  0.741  0.111  1.0
  F  F9  1  0.848  0.459  0.968  1.0
  F  F10  1  0.541  0.509  0.389  1.0
  F  F11  1  0.491  0.880  0.032  1.0
[/CIF]
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