The compound described by Li4TbF8 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(3) atoms to form a mixture of edge and corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles range from 20-40°. In the second Li site, Li(2) is bonded to one F(2), one F(5), two equivalent F(1), and two equivalent F(3) atoms to form a mixture of distorted edge and corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles range from 18-60°. Tb(1) is bonded in a 8-coordinate geometry to one F(4), one F(5), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are five inequivalent F sites. In the first F site, F(3) is bonded to two equivalent Li(1), two equivalent Li(2), and one Tb(1) atom to form distorted FLi4Tb square pyramids that share  a cornercorner with one F(3)Li4Tb square pyramid, corners with four equivalent F(1)Li3Tb trigonal pyramids, corners with four equivalent F(2)Li3Tb trigonal pyramids, edges with two equivalent F(3)Li4Tb square pyramids, edges with two equivalent F(1)Li3Tb trigonal pyramids, and edges with two equivalent F(2)Li3Tb trigonal pyramids. In the second F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Tb(1) atom. In the third F site, F(5) is bonded in a trigonal non-coplanar geometry to two equivalent Li(2) and one Tb(1) atom. In the fourth F site, F(1) is bonded to one Li(1), two equivalent Li(2), and one Tb(1) atom to form distorted FLi3Tb trigonal pyramids that share corners with four equivalent F(3)Li4Tb square pyramids,  a cornercorner with one F(1)Li3Tb trigonal pyramid, corners with two equivalent F(2)Li3Tb trigonal pyramids, edges with two equivalent F(3)Li4Tb square pyramids,  an edgeedge with one F(1)Li3Tb trigonal pyramid, and edges with two equivalent F(2)Li3Tb trigonal pyramids. In the fifth F site, F(2) is bonded to one Li(2), two equivalent Li(1), and one Tb(1) atom to form distorted FLi3Tb trigonal pyramids that share corners with four equivalent F(3)Li4Tb square pyramids,  a cornercorner with one F(2)Li3Tb trigonal pyramid, corners with two equivalent F(1)Li3Tb trigonal pyramids, edges with two equivalent F(3)Li4Tb square pyramids,  an edgeedge with one F(2)Li3Tb trigonal pyramid, and edges with two equivalent F(1)Li3Tb trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4TbF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.832
_cell_length_b   9.912
_cell_length_c   10.075
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   582.399
_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  0.883  0.939  0.368  1.0
  Li  Li1  1  0.383  0.061  0.132  1.0
  Li  Li2  1  0.617  0.561  0.868  1.0
  Li  Li3  1  0.117  0.439  0.632  1.0
  Li  Li4  1  0.117  0.061  0.632  1.0
  Li  Li5  1  0.617  0.939  0.868  1.0
  Li  Li6  1  0.383  0.439  0.132  1.0
  Li  Li7  1  0.883  0.561  0.368  1.0
  Li  Li8  1  0.372  0.921  0.398  1.0
  Li  Li9  1  0.872  0.079  0.102  1.0
  Li  Li10  1  0.128  0.579  0.898  1.0
  Li  Li11  1  0.628  0.421  0.602  1.0
  Li  Li12  1  0.628  0.079  0.602  1.0
  Li  Li13  1  0.128  0.921  0.898  1.0
  Li  Li14  1  0.872  0.421  0.102  1.0
  Li  Li15  1  0.372  0.579  0.398  1.0
  Tb  Tb16  1  0.634  0.750  0.135  1.0
  Tb  Tb17  1  0.134  0.250  0.365  1.0
  Tb  Tb18  1  0.866  0.750  0.635  1.0
  Tb  Tb19  1  0.366  0.250  0.865  1.0
  F  F20  1  0.860  0.889  0.013  1.0
  F  F21  1  0.360  0.111  0.487  1.0
  F  F22  1  0.640  0.611  0.513  1.0
  F  F23  1  0.140  0.389  0.987  1.0
  F  F24  1  0.140  0.111  0.987  1.0
  F  F25  1  0.640  0.889  0.513  1.0
  F  F26  1  0.360  0.389  0.487  1.0
  F  F27  1  0.860  0.611  0.013  1.0
  F  F28  1  0.388  0.885  0.019  1.0
  F  F29  1  0.888  0.115  0.481  1.0
  F  F30  1  0.112  0.615  0.519  1.0
  F  F31  1  0.612  0.385  0.981  1.0
  F  F32  1  0.612  0.115  0.981  1.0
  F  F33  1  0.112  0.885  0.519  1.0
  F  F34  1  0.888  0.385  0.481  1.0
  F  F35  1  0.388  0.615  0.019  1.0
  F  F36  1  0.634  0.531  0.233  1.0
  F  F37  1  0.134  0.469  0.267  1.0
  F  F38  1  0.866  0.969  0.733  1.0
  F  F39  1  0.366  0.031  0.767  1.0
  F  F40  1  0.366  0.469  0.767  1.0
  F  F41  1  0.866  0.531  0.733  1.0
  F  F42  1  0.134  0.031  0.267  1.0
  F  F43  1  0.634  0.969  0.233  1.0
  F  F44  1  0.890  0.750  0.301  1.0
  F  F45  1  0.390  0.250  0.199  1.0
  F  F46  1  0.610  0.750  0.801  1.0
  F  F47  1  0.110  0.250  0.699  1.0
  F  F48  1  0.376  0.750  0.301  1.0
  F  F49  1  0.876  0.250  0.199  1.0
  F  F50  1  0.124  0.750  0.801  1.0
  F  F51  1  0.624  0.250  0.699  1.0
[/CIF]
.
The compound described by Li4TbF8 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(3) atoms to form a mixture of edge and corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles range from 20-40°. In the second Li site, Li(2) is bonded to one F(2), one F(5), two equivalent F(1), and two equivalent F(3) atoms to form a mixture of distorted edge and corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles range from 18-60°. Tb(1) is bonded in a 8-coordinate geometry to one F(4), one F(5), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are five inequivalent F sites. In the first F site, F(3) is bonded to two equivalent Li(1), two equivalent Li(2), and one Tb(1) atom to form distorted FLi4Tb square pyramids that share  a cornercorner with one F(3)Li4Tb square pyramid, corners with four equivalent F(1)Li3Tb trigonal pyramids, corners with four equivalent F(2)Li3Tb trigonal pyramids, edges with two equivalent F(3)Li4Tb square pyramids, edges with two equivalent F(1)Li3Tb trigonal pyramids, and edges with two equivalent F(2)Li3Tb trigonal pyramids. In the second F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Tb(1) atom. In the third F site, F(5) is bonded in a trigonal non-coplanar geometry to two equivalent Li(2) and one Tb(1) atom. In the fourth F site, F(1) is bonded to one Li(1), two equivalent Li(2), and one Tb(1) atom to form distorted FLi3Tb trigonal pyramids that share corners with four equivalent F(3)Li4Tb square pyramids,  a cornercorner with one F(1)Li3Tb trigonal pyramid, corners with two equivalent F(2)Li3Tb trigonal pyramids, edges with two equivalent F(3)Li4Tb square pyramids,  an edgeedge with one F(1)Li3Tb trigonal pyramid, and edges with two equivalent F(2)Li3Tb trigonal pyramids. In the fifth F site, F(2) is bonded to one Li(2), two equivalent Li(1), and one Tb(1) atom to form distorted FLi3Tb trigonal pyramids that share corners with four equivalent F(3)Li4Tb square pyramids,  a cornercorner with one F(2)Li3Tb trigonal pyramid, corners with two equivalent F(1)Li3Tb trigonal pyramids, edges with two equivalent F(3)Li4Tb square pyramids,  an edgeedge with one F(2)Li3Tb trigonal pyramid, and edges with two equivalent F(1)Li3Tb trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4TbF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.832
_cell_length_b   9.912
_cell_length_c   10.075
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   582.399
_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  0.883  0.939  0.368  1.0
  Li  Li1  1  0.383  0.061  0.132  1.0
  Li  Li2  1  0.617  0.561  0.868  1.0
  Li  Li3  1  0.117  0.439  0.632  1.0
  Li  Li4  1  0.117  0.061  0.632  1.0
  Li  Li5  1  0.617  0.939  0.868  1.0
  Li  Li6  1  0.383  0.439  0.132  1.0
  Li  Li7  1  0.883  0.561  0.368  1.0
  Li  Li8  1  0.372  0.921  0.398  1.0
  Li  Li9  1  0.872  0.079  0.102  1.0
  Li  Li10  1  0.128  0.579  0.898  1.0
  Li  Li11  1  0.628  0.421  0.602  1.0
  Li  Li12  1  0.628  0.079  0.602  1.0
  Li  Li13  1  0.128  0.921  0.898  1.0
  Li  Li14  1  0.872  0.421  0.102  1.0
  Li  Li15  1  0.372  0.579  0.398  1.0
  Tb  Tb16  1  0.634  0.750  0.135  1.0
  Tb  Tb17  1  0.134  0.250  0.365  1.0
  Tb  Tb18  1  0.866  0.750  0.635  1.0
  Tb  Tb19  1  0.366  0.250  0.865  1.0
  F  F20  1  0.860  0.889  0.013  1.0
  F  F21  1  0.360  0.111  0.487  1.0
  F  F22  1  0.640  0.611  0.513  1.0
  F  F23  1  0.140  0.389  0.987  1.0
  F  F24  1  0.140  0.111  0.987  1.0
  F  F25  1  0.640  0.889  0.513  1.0
  F  F26  1  0.360  0.389  0.487  1.0
  F  F27  1  0.860  0.611  0.013  1.0
  F  F28  1  0.388  0.885  0.019  1.0
  F  F29  1  0.888  0.115  0.481  1.0
  F  F30  1  0.112  0.615  0.519  1.0
  F  F31  1  0.612  0.385  0.981  1.0
  F  F32  1  0.612  0.115  0.981  1.0
  F  F33  1  0.112  0.885  0.519  1.0
  F  F34  1  0.888  0.385  0.481  1.0
  F  F35  1  0.388  0.615  0.019  1.0
  F  F36  1  0.634  0.531  0.233  1.0
  F  F37  1  0.134  0.469  0.267  1.0
  F  F38  1  0.866  0.969  0.733  1.0
  F  F39  1  0.366  0.031  0.767  1.0
  F  F40  1  0.366  0.469  0.767  1.0
  F  F41  1  0.866  0.531  0.733  1.0
  F  F42  1  0.134  0.031  0.267  1.0
  F  F43  1  0.634  0.969  0.233  1.0
  F  F44  1  0.890  0.750  0.301  1.0
  F  F45  1  0.390  0.250  0.199  1.0
  F  F46  1  0.610  0.750  0.801  1.0
  F  F47  1  0.110  0.250  0.699  1.0
  F  F48  1  0.376  0.750  0.301  1.0
  F  F49  1  0.876  0.250  0.199  1.0
  F  F50  1  0.124  0.750  0.801  1.0
  F  F51  1  0.624  0.250  0.699  1.0
[/CIF]
.