The crystal structure described by TbF4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and two equivalent F(1) atoms. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(5), two equivalent F(6), and two equivalent F(7) atoms. There are seven inequivalent F sites. In the first F site, F(7) is bonded in a bent 150 degrees geometry to one Tb(1) and one Tb(2) atom. In the second F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Tb(1) atoms. In the third F site, F(2) is bonded in a bent 150 degrees geometry to one Tb(1) and one Tb(2) atom. In the fourth F site, F(3) is bonded in a linear geometry to two equivalent Tb(1) atoms. In the fifth F site, F(4) is bonded in a linear geometry to two equivalent Tb(1) atoms. In the sixth F site, F(5) is bonded in a bent 150 degrees geometry to one Tb(1) and one Tb(2) atom. In the seventh F site, F(6) is bonded in a linear geometry to one Tb(1) and one Tb(2) atom. is represented by the CIF card [CIF]
data_TbF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.205
_cell_length_b   8.205
_cell_length_c   7.947
_cell_angle_alpha   67.433
_cell_angle_beta   67.433
_cell_angle_gamma   86.195
_symmetry_Int_Tables_number   1
_cell_volume   454.138
_cell_formula_units_Z   6
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
  Tb  Tb0  1  0.652  0.766  0.634  1.0
  Tb  Tb1  1  0.348  0.234  0.366  1.0
  Tb  Tb2  1  0.234  0.348  0.866  1.0
  Tb  Tb3  1  0.766  0.652  0.134  1.0
  Tb  Tb4  1  0.802  0.198  0.750  1.0
  Tb  Tb5  1  0.198  0.802  0.250  1.0
  F  F6  1  0.342  0.249  0.636  1.0
  F  F7  1  0.658  0.751  0.364  1.0
  F  F8  1  0.751  0.658  0.864  1.0
  F  F9  1  0.249  0.342  0.136  1.0
  F  F10  1  0.831  0.940  0.943  1.0
  F  F11  1  0.169  0.060  0.057  1.0
  F  F12  1  0.060  0.169  0.557  1.0
  F  F13  1  0.940  0.831  0.443  1.0
  F  F14  1  0.421  0.579  0.750  1.0
  F  F15  1  0.579  0.421  0.250  1.0
  F  F16  1  0.500  0.000  0.500  1.0
  F  F17  1  0.000  0.500  0.000  1.0
  F  F18  1  0.500  0.210  0.867  1.0
  F  F19  1  0.500  0.790  0.133  1.0
  F  F20  1  0.790  0.500  0.633  1.0
  F  F21  1  0.210  0.500  0.367  1.0
  F  F22  1  0.404  0.780  0.947  1.0
  F  F23  1  0.596  0.220  0.053  1.0
  F  F24  1  0.220  0.596  0.553  1.0
  F  F25  1  0.780  0.404  0.447  1.0
  F  F26  1  0.696  0.034  0.632  1.0
  F  F27  1  0.304  0.966  0.368  1.0
  F  F28  1  0.966  0.304  0.868  1.0
  F  F29  1  0.034  0.696  0.132  1.0
[/CIF]
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The crystal structure described by TbF4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and two equivalent F(1) atoms. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(5), two equivalent F(6), and two equivalent F(7) atoms. There are seven inequivalent F sites. In the first F site, F(7) is bonded in a bent 150 degrees geometry to one Tb(1) and one Tb(2) atom. In the second F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Tb(1) atoms. In the third F site, F(2) is bonded in a bent 150 degrees geometry to one Tb(1) and one Tb(2) atom. In the fourth F site, F(3) is bonded in a linear geometry to two equivalent Tb(1) atoms. In the fifth F site, F(4) is bonded in a linear geometry to two equivalent Tb(1) atoms. In the sixth F site, F(5) is bonded in a bent 150 degrees geometry to one Tb(1) and one Tb(2) atom. In the seventh F site, F(6) is bonded in a linear geometry to one Tb(1) and one Tb(2) atom. is represented by the CIF card [CIF]
data_TbF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.205
_cell_length_b   8.205
_cell_length_c   7.947
_cell_angle_alpha   67.433
_cell_angle_beta   67.433
_cell_angle_gamma   86.195
_symmetry_Int_Tables_number   1
_cell_volume   454.138
_cell_formula_units_Z   6
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
  Tb  Tb0  1  0.652  0.766  0.634  1.0
  Tb  Tb1  1  0.348  0.234  0.366  1.0
  Tb  Tb2  1  0.234  0.348  0.866  1.0
  Tb  Tb3  1  0.766  0.652  0.134  1.0
  Tb  Tb4  1  0.802  0.198  0.750  1.0
  Tb  Tb5  1  0.198  0.802  0.250  1.0
  F  F6  1  0.342  0.249  0.636  1.0
  F  F7  1  0.658  0.751  0.364  1.0
  F  F8  1  0.751  0.658  0.864  1.0
  F  F9  1  0.249  0.342  0.136  1.0
  F  F10  1  0.831  0.940  0.943  1.0
  F  F11  1  0.169  0.060  0.057  1.0
  F  F12  1  0.060  0.169  0.557  1.0
  F  F13  1  0.940  0.831  0.443  1.0
  F  F14  1  0.421  0.579  0.750  1.0
  F  F15  1  0.579  0.421  0.250  1.0
  F  F16  1  0.500  0.000  0.500  1.0
  F  F17  1  0.000  0.500  0.000  1.0
  F  F18  1  0.500  0.210  0.867  1.0
  F  F19  1  0.500  0.790  0.133  1.0
  F  F20  1  0.790  0.500  0.633  1.0
  F  F21  1  0.210  0.500  0.367  1.0
  F  F22  1  0.404  0.780  0.947  1.0
  F  F23  1  0.596  0.220  0.053  1.0
  F  F24  1  0.220  0.596  0.553  1.0
  F  F25  1  0.780  0.404  0.447  1.0
  F  F26  1  0.696  0.034  0.632  1.0
  F  F27  1  0.304  0.966  0.368  1.0
  F  F28  1  0.966  0.304  0.868  1.0
  F  F29  1  0.034  0.696  0.132  1.0
[/CIF]
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