The crystal structure described by Li3ThF7 crystallizes in the tetragonal P4/ncc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent F(3) atoms to form corner-sharing LiF4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent F(3) and three equivalent F(1) atoms to form distorted LiF5 trigonal bipyramids that share corners with two equivalent Li(1)F4 tetrahedra, corners with four equivalent Li(2)F5 trigonal bipyramids, and  an edgeedge with one Li(2)F5 trigonal bipyramid. Th(1) is bonded in a 5-coordinate geometry to one F(2) and four equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to three equivalent Li(2) atoms. In the second F site, F(2) is bonded in a single-bond geometry to one Th(1) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Th(1) atom. is represented by the CIF file [CIF]
data_Li3ThF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.946
_cell_length_b   6.946
_cell_length_c   12.265
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   591.762
_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
  Li  Li0  1  0.500  0.500  0.000  1.0
  Li  Li1  1  0.375  0.625  0.250  1.0
  Li  Li2  1  0.875  0.875  0.250  1.0
  Li  Li3  1  0.125  0.125  0.250  1.0
  Li  Li4  1  0.625  0.375  0.250  1.0
  Li  Li5  1  0.000  0.000  0.000  1.0
  Li  Li6  1  0.000  0.000  0.500  1.0
  Li  Li7  1  0.500  0.500  0.500  1.0
  Li  Li8  1  0.875  0.125  0.750  1.0
  Li  Li9  1  0.375  0.375  0.750  1.0
  Li  Li10  1  0.625  0.625  0.750  1.0
  Li  Li11  1  0.125  0.875  0.750  1.0
  Th  Th12  1  0.500  0.000  0.641  1.0
  Th  Th13  1  0.000  0.500  0.859  1.0
  Th  Th14  1  0.000  0.500  0.359  1.0
  Th  Th15  1  0.500  0.000  0.141  1.0
  F  F16  1  0.840  0.160  0.250  1.0
  F  F17  1  0.160  0.840  0.250  1.0
  F  F18  1  0.660  0.660  0.250  1.0
  F  F19  1  0.340  0.340  0.250  1.0
  F  F20  1  0.500  0.000  0.316  1.0
  F  F21  1  0.000  0.500  0.184  1.0
  F  F22  1  0.000  0.500  0.684  1.0
  F  F23  1  0.500  0.000  0.816  1.0
  F  F24  1  0.407  0.705  0.087  1.0
  F  F25  1  0.795  0.907  0.087  1.0
  F  F26  1  0.205  0.093  0.087  1.0
  F  F27  1  0.907  0.795  0.413  1.0
  F  F28  1  0.093  0.205  0.413  1.0
  F  F29  1  0.593  0.295  0.087  1.0
  F  F30  1  0.705  0.407  0.413  1.0
  F  F31  1  0.295  0.593  0.413  1.0
  F  F32  1  0.093  0.795  0.913  1.0
  F  F33  1  0.705  0.593  0.913  1.0
  F  F34  1  0.295  0.407  0.913  1.0
  F  F35  1  0.593  0.705  0.587  1.0
  F  F36  1  0.407  0.295  0.587  1.0
  F  F37  1  0.907  0.205  0.913  1.0
  F  F38  1  0.795  0.093  0.587  1.0
  F  F39  1  0.205  0.907  0.587  1.0
  F  F40  1  0.340  0.660  0.750  1.0
  F  F41  1  0.840  0.840  0.750  1.0
  F  F42  1  0.160  0.160  0.750  1.0
  F  F43  1  0.660  0.340  0.750  1.0
[/CIF]
.
The crystal structure described by Li3ThF7 crystallizes in the tetragonal P4/ncc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent F(3) atoms to form corner-sharing LiF4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent F(3) and three equivalent F(1) atoms to form distorted LiF5 trigonal bipyramids that share corners with two equivalent Li(1)F4 tetrahedra, corners with four equivalent Li(2)F5 trigonal bipyramids, and  an edgeedge with one Li(2)F5 trigonal bipyramid. Th(1) is bonded in a 5-coordinate geometry to one F(2) and four equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to three equivalent Li(2) atoms. In the second F site, F(2) is bonded in a single-bond geometry to one Th(1) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Th(1) atom. is represented by the CIF file [CIF]
data_Li3ThF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.946
_cell_length_b   6.946
_cell_length_c   12.265
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   591.762
_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
  Li  Li0  1  0.500  0.500  0.000  1.0
  Li  Li1  1  0.375  0.625  0.250  1.0
  Li  Li2  1  0.875  0.875  0.250  1.0
  Li  Li3  1  0.125  0.125  0.250  1.0
  Li  Li4  1  0.625  0.375  0.250  1.0
  Li  Li5  1  0.000  0.000  0.000  1.0
  Li  Li6  1  0.000  0.000  0.500  1.0
  Li  Li7  1  0.500  0.500  0.500  1.0
  Li  Li8  1  0.875  0.125  0.750  1.0
  Li  Li9  1  0.375  0.375  0.750  1.0
  Li  Li10  1  0.625  0.625  0.750  1.0
  Li  Li11  1  0.125  0.875  0.750  1.0
  Th  Th12  1  0.500  0.000  0.641  1.0
  Th  Th13  1  0.000  0.500  0.859  1.0
  Th  Th14  1  0.000  0.500  0.359  1.0
  Th  Th15  1  0.500  0.000  0.141  1.0
  F  F16  1  0.840  0.160  0.250  1.0
  F  F17  1  0.160  0.840  0.250  1.0
  F  F18  1  0.660  0.660  0.250  1.0
  F  F19  1  0.340  0.340  0.250  1.0
  F  F20  1  0.500  0.000  0.316  1.0
  F  F21  1  0.000  0.500  0.184  1.0
  F  F22  1  0.000  0.500  0.684  1.0
  F  F23  1  0.500  0.000  0.816  1.0
  F  F24  1  0.407  0.705  0.087  1.0
  F  F25  1  0.795  0.907  0.087  1.0
  F  F26  1  0.205  0.093  0.087  1.0
  F  F27  1  0.907  0.795  0.413  1.0
  F  F28  1  0.093  0.205  0.413  1.0
  F  F29  1  0.593  0.295  0.087  1.0
  F  F30  1  0.705  0.407  0.413  1.0
  F  F31  1  0.295  0.593  0.413  1.0
  F  F32  1  0.093  0.795  0.913  1.0
  F  F33  1  0.705  0.593  0.913  1.0
  F  F34  1  0.295  0.407  0.913  1.0
  F  F35  1  0.593  0.705  0.587  1.0
  F  F36  1  0.407  0.295  0.587  1.0
  F  F37  1  0.907  0.205  0.913  1.0
  F  F38  1  0.795  0.093  0.587  1.0
  F  F39  1  0.205  0.907  0.587  1.0
  F  F40  1  0.340  0.660  0.750  1.0
  F  F41  1  0.840  0.840  0.750  1.0
  F  F42  1  0.160  0.160  0.750  1.0
  F  F43  1  0.660  0.340  0.750  1.0
[/CIF]
.