The material described by Li4UF8 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(5) atoms to form a mixture of distorted edge and corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles range from 17-61°. In the second Li site, Li(2) is bonded to one F(3), one F(5), two equivalent F(1), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles range from 19-39°. U(1) is bonded in a 8-coordinate geometry to one F(3), one F(4), two equivalent F(1), two equivalent F(2), and two equivalent F(5) atoms. There are five inequivalent F sites. In the first F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(2) and one U(1) atom. In the second F site, F(4) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one U(1) atom. In the third F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one U(1) atom. In the fourth F site, F(1) is bonded to one Li(1), two equivalent Li(2), and one U(1) atom to form distorted FLi3U trigonal pyramids that share corners with four equivalent F(2)Li4U square pyramids,  a cornercorner with one F(1)Li3U trigonal pyramid, edges with two equivalent F(2)Li4U square pyramids, and  an edgeedge with one F(1)Li3U trigonal pyramid. In the fifth F site, F(2) is bonded to two equivalent Li(1), two equivalent Li(2), and one U(1) atom to form distorted FLi4U square pyramids that share  a cornercorner with one F(2)Li4U square pyramid, corners with four equivalent F(1)Li3U trigonal pyramids, edges with two equivalent F(2)Li4U square pyramids, and edges with two equivalent F(1)Li3U trigonal pyramids. is represented by the CIF card [CIF]
data_Li4UF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.893
_cell_length_b   9.965
_cell_length_c   10.128
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   594.784
_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  0.130  0.101  0.580  1.0
  Li  Li1  1  0.630  0.399  0.420  1.0
  Li  Li2  1  0.870  0.899  0.080  1.0
  Li  Li3  1  0.370  0.601  0.920  1.0
  Li  Li4  1  0.130  0.101  0.920  1.0
  Li  Li5  1  0.630  0.399  0.080  1.0
  Li  Li6  1  0.621  0.128  0.554  1.0
  Li  Li7  1  0.121  0.372  0.446  1.0
  Li  Li8  1  0.379  0.872  0.054  1.0
  Li  Li9  1  0.879  0.628  0.946  1.0
  Li  Li10  1  0.379  0.872  0.446  1.0
  Li  Li11  1  0.879  0.628  0.554  1.0
  Li  Li12  1  0.621  0.128  0.946  1.0
  Li  Li13  1  0.121  0.372  0.054  1.0
  Li  Li14  1  0.870  0.899  0.420  1.0
  Li  Li15  1  0.370  0.601  0.580  1.0
  U  U16  1  0.131  0.637  0.250  1.0
  U  U17  1  0.631  0.863  0.750  1.0
  U  U18  1  0.869  0.363  0.750  1.0
  U  U19  1  0.369  0.137  0.250  1.0
  F  F20  1  0.890  0.518  0.384  1.0
  F  F21  1  0.890  0.518  0.116  1.0
  F  F22  1  0.610  0.018  0.384  1.0
  F  F23  1  0.110  0.482  0.616  1.0
  F  F24  1  0.374  0.238  0.031  1.0
  F  F25  1  0.874  0.262  0.969  1.0
  F  F26  1  0.626  0.762  0.531  1.0
  F  F27  1  0.390  0.982  0.884  1.0
  F  F28  1  0.626  0.762  0.969  1.0
  F  F29  1  0.126  0.738  0.031  1.0
  F  F30  1  0.374  0.238  0.469  1.0
  F  F31  1  0.874  0.262  0.531  1.0
  F  F32  1  0.122  0.302  0.250  1.0
  F  F33  1  0.622  0.198  0.750  1.0
  F  F34  1  0.878  0.698  0.750  1.0
  F  F35  1  0.378  0.802  0.250  1.0
  F  F36  1  0.625  0.298  0.250  1.0
  F  F37  1  0.125  0.202  0.750  1.0
  F  F38  1  0.375  0.702  0.750  1.0
  F  F39  1  0.875  0.798  0.250  1.0
  F  F40  1  0.110  0.482  0.884  1.0
  F  F41  1  0.610  0.018  0.116  1.0
  F  F42  1  0.638  0.484  0.611  1.0
  F  F43  1  0.138  0.016  0.389  1.0
  F  F44  1  0.362  0.516  0.111  1.0
  F  F45  1  0.862  0.984  0.889  1.0
  F  F46  1  0.362  0.516  0.389  1.0
  F  F47  1  0.862  0.984  0.611  1.0
  F  F48  1  0.638  0.484  0.889  1.0
  F  F49  1  0.138  0.016  0.111  1.0
  F  F50  1  0.126  0.738  0.469  1.0
  F  F51  1  0.390  0.982  0.616  1.0
[/CIF]
.
The material described by Li4UF8 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(5) atoms to form a mixture of distorted edge and corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles range from 17-61°. In the second Li site, Li(2) is bonded to one F(3), one F(5), two equivalent F(1), and two equivalent F(2) atoms to form a mixture of edge and corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles range from 19-39°. U(1) is bonded in a 8-coordinate geometry to one F(3), one F(4), two equivalent F(1), two equivalent F(2), and two equivalent F(5) atoms. There are five inequivalent F sites. In the first F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(2) and one U(1) atom. In the second F site, F(4) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one U(1) atom. In the third F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one U(1) atom. In the fourth F site, F(1) is bonded to one Li(1), two equivalent Li(2), and one U(1) atom to form distorted FLi3U trigonal pyramids that share corners with four equivalent F(2)Li4U square pyramids,  a cornercorner with one F(1)Li3U trigonal pyramid, edges with two equivalent F(2)Li4U square pyramids, and  an edgeedge with one F(1)Li3U trigonal pyramid. In the fifth F site, F(2) is bonded to two equivalent Li(1), two equivalent Li(2), and one U(1) atom to form distorted FLi4U square pyramids that share  a cornercorner with one F(2)Li4U square pyramid, corners with four equivalent F(1)Li3U trigonal pyramids, edges with two equivalent F(2)Li4U square pyramids, and edges with two equivalent F(1)Li3U trigonal pyramids. is represented by the CIF card [CIF]
data_Li4UF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.893
_cell_length_b   9.965
_cell_length_c   10.128
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   594.784
_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  0.130  0.101  0.580  1.0
  Li  Li1  1  0.630  0.399  0.420  1.0
  Li  Li2  1  0.870  0.899  0.080  1.0
  Li  Li3  1  0.370  0.601  0.920  1.0
  Li  Li4  1  0.130  0.101  0.920  1.0
  Li  Li5  1  0.630  0.399  0.080  1.0
  Li  Li6  1  0.621  0.128  0.554  1.0
  Li  Li7  1  0.121  0.372  0.446  1.0
  Li  Li8  1  0.379  0.872  0.054  1.0
  Li  Li9  1  0.879  0.628  0.946  1.0
  Li  Li10  1  0.379  0.872  0.446  1.0
  Li  Li11  1  0.879  0.628  0.554  1.0
  Li  Li12  1  0.621  0.128  0.946  1.0
  Li  Li13  1  0.121  0.372  0.054  1.0
  Li  Li14  1  0.870  0.899  0.420  1.0
  Li  Li15  1  0.370  0.601  0.580  1.0
  U  U16  1  0.131  0.637  0.250  1.0
  U  U17  1  0.631  0.863  0.750  1.0
  U  U18  1  0.869  0.363  0.750  1.0
  U  U19  1  0.369  0.137  0.250  1.0
  F  F20  1  0.890  0.518  0.384  1.0
  F  F21  1  0.890  0.518  0.116  1.0
  F  F22  1  0.610  0.018  0.384  1.0
  F  F23  1  0.110  0.482  0.616  1.0
  F  F24  1  0.374  0.238  0.031  1.0
  F  F25  1  0.874  0.262  0.969  1.0
  F  F26  1  0.626  0.762  0.531  1.0
  F  F27  1  0.390  0.982  0.884  1.0
  F  F28  1  0.626  0.762  0.969  1.0
  F  F29  1  0.126  0.738  0.031  1.0
  F  F30  1  0.374  0.238  0.469  1.0
  F  F31  1  0.874  0.262  0.531  1.0
  F  F32  1  0.122  0.302  0.250  1.0
  F  F33  1  0.622  0.198  0.750  1.0
  F  F34  1  0.878  0.698  0.750  1.0
  F  F35  1  0.378  0.802  0.250  1.0
  F  F36  1  0.625  0.298  0.250  1.0
  F  F37  1  0.125  0.202  0.750  1.0
  F  F38  1  0.375  0.702  0.750  1.0
  F  F39  1  0.875  0.798  0.250  1.0
  F  F40  1  0.110  0.482  0.884  1.0
  F  F41  1  0.610  0.018  0.116  1.0
  F  F42  1  0.638  0.484  0.611  1.0
  F  F43  1  0.138  0.016  0.389  1.0
  F  F44  1  0.362  0.516  0.111  1.0
  F  F45  1  0.862  0.984  0.889  1.0
  F  F46  1  0.362  0.516  0.389  1.0
  F  F47  1  0.862  0.984  0.611  1.0
  F  F48  1  0.638  0.484  0.889  1.0
  F  F49  1  0.138  0.016  0.111  1.0
  F  F50  1  0.126  0.738  0.469  1.0
  F  F51  1  0.390  0.982  0.616  1.0
[/CIF]
.