The material structure described by Li2TbF6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(5), one F(6), and two equivalent F(4) atoms to form distorted corner-sharing LiF5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one F(3), one F(5), one F(6), and two equivalent F(2) atoms to form distorted corner-sharing LiF5 trigonal bipyramids. Tb(1) is bonded in a 8-coordinate geometry to one F(2), one F(4), one F(5), one F(6), two equivalent F(1), and two equivalent F(3) atoms. There are six inequivalent F sites. In the first F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Tb(1) atom. In the second F site, F(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Tb(1) atoms. In the third F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(2) and one Tb(1) atom. In the fourth F site, F(3) is bonded in a 3-coordinate geometry to one Li(2) and two equivalent Tb(1) atoms. In the fifth F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Tb(1) atom. In the sixth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Tb(1) atom. is represented by the CIF card [CIF]
data_Li2TbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.082
_cell_length_b   7.669
_cell_length_c   11.717
_cell_angle_alpha   106.434
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.004
_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  0.995  0.597  0.196  1.0
  Li  Li1  1  0.495  0.403  0.304  1.0
  Li  Li2  1  0.005  0.403  0.804  1.0
  Li  Li3  1  0.505  0.597  0.696  1.0
  Li  Li4  1  0.485  0.973  0.340  1.0
  Li  Li5  1  0.985  0.027  0.160  1.0
  Li  Li6  1  0.515  0.027  0.660  1.0
  Li  Li7  1  0.015  0.973  0.840  1.0
  Tb  Tb8  1  0.019  0.751  0.502  1.0
  Tb  Tb9  1  0.519  0.249  0.998  1.0
  Tb  Tb10  1  0.981  0.249  0.498  1.0
  Tb  Tb11  1  0.481  0.751  0.002  1.0
  F  F12  1  0.692  0.541  0.078  1.0
  F  F13  1  0.192  0.459  0.422  1.0
  F  F14  1  0.308  0.459  0.922  1.0
  F  F15  1  0.808  0.541  0.578  1.0
  F  F16  1  0.853  0.913  0.682  1.0
  F  F17  1  0.353  0.087  0.818  1.0
  F  F18  1  0.147  0.087  0.318  1.0
  F  F19  1  0.647  0.913  0.182  1.0
  F  F20  1  0.736  0.959  0.954  1.0
  F  F21  1  0.236  0.041  0.546  1.0
  F  F22  1  0.264  0.041  0.046  1.0
  F  F23  1  0.764  0.959  0.454  1.0
  F  F24  1  0.729  0.593  0.837  1.0
  F  F25  1  0.229  0.407  0.663  1.0
  F  F26  1  0.271  0.407  0.163  1.0
  F  F27  1  0.771  0.593  0.337  1.0
  F  F28  1  0.114  0.751  0.104  1.0
  F  F29  1  0.614  0.249  0.396  1.0
  F  F30  1  0.886  0.249  0.896  1.0
  F  F31  1  0.386  0.751  0.604  1.0
  F  F32  1  0.240  0.758  0.837  1.0
  F  F33  1  0.740  0.242  0.663  1.0
  F  F34  1  0.760  0.242  0.163  1.0
  F  F35  1  0.260  0.758  0.337  1.0
[/CIF]
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The material structure described by Li2TbF6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(5), one F(6), and two equivalent F(4) atoms to form distorted corner-sharing LiF5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one F(3), one F(5), one F(6), and two equivalent F(2) atoms to form distorted corner-sharing LiF5 trigonal bipyramids. Tb(1) is bonded in a 8-coordinate geometry to one F(2), one F(4), one F(5), one F(6), two equivalent F(1), and two equivalent F(3) atoms. There are six inequivalent F sites. In the first F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Tb(1) atom. In the second F site, F(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Tb(1) atoms. In the third F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(2) and one Tb(1) atom. In the fourth F site, F(3) is bonded in a 3-coordinate geometry to one Li(2) and two equivalent Tb(1) atoms. In the fifth F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Tb(1) atom. In the sixth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Tb(1) atom. is represented by the CIF card [CIF]
data_Li2TbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.082
_cell_length_b   7.669
_cell_length_c   11.717
_cell_angle_alpha   106.434
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.004
_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  0.995  0.597  0.196  1.0
  Li  Li1  1  0.495  0.403  0.304  1.0
  Li  Li2  1  0.005  0.403  0.804  1.0
  Li  Li3  1  0.505  0.597  0.696  1.0
  Li  Li4  1  0.485  0.973  0.340  1.0
  Li  Li5  1  0.985  0.027  0.160  1.0
  Li  Li6  1  0.515  0.027  0.660  1.0
  Li  Li7  1  0.015  0.973  0.840  1.0
  Tb  Tb8  1  0.019  0.751  0.502  1.0
  Tb  Tb9  1  0.519  0.249  0.998  1.0
  Tb  Tb10  1  0.981  0.249  0.498  1.0
  Tb  Tb11  1  0.481  0.751  0.002  1.0
  F  F12  1  0.692  0.541  0.078  1.0
  F  F13  1  0.192  0.459  0.422  1.0
  F  F14  1  0.308  0.459  0.922  1.0
  F  F15  1  0.808  0.541  0.578  1.0
  F  F16  1  0.853  0.913  0.682  1.0
  F  F17  1  0.353  0.087  0.818  1.0
  F  F18  1  0.147  0.087  0.318  1.0
  F  F19  1  0.647  0.913  0.182  1.0
  F  F20  1  0.736  0.959  0.954  1.0
  F  F21  1  0.236  0.041  0.546  1.0
  F  F22  1  0.264  0.041  0.046  1.0
  F  F23  1  0.764  0.959  0.454  1.0
  F  F24  1  0.729  0.593  0.837  1.0
  F  F25  1  0.229  0.407  0.663  1.0
  F  F26  1  0.271  0.407  0.163  1.0
  F  F27  1  0.771  0.593  0.337  1.0
  F  F28  1  0.114  0.751  0.104  1.0
  F  F29  1  0.614  0.249  0.396  1.0
  F  F30  1  0.886  0.249  0.896  1.0
  F  F31  1  0.386  0.751  0.604  1.0
  F  F32  1  0.240  0.758  0.837  1.0
  F  F33  1  0.740  0.242  0.663  1.0
  F  F34  1  0.760  0.242  0.163  1.0
  F  F35  1  0.260  0.758  0.337  1.0
[/CIF]
.