The material structure described by BaTbF6 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one F(1), one F(10), one F(4), one F(6), one F(7), one F(8), two equivalent F(11), and two equivalent F(5) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one F(1), one F(10), one F(11), one F(4), one F(5), one F(7), one F(8), one F(9), and two equivalent F(2) atoms. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to one F(11), one F(12), one F(13), one F(2), one F(3), one F(4), one F(6), and one F(9) atom. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to one F(1), one F(10), one F(3), one F(5), one F(6), one F(7), one F(8), and one F(9) atom. There are thirteen inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Tb(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2) and one Tb(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Tb(1) and one Tb(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Ba(1), one Ba(2), and one Tb(1) atom. In the fifth F site, F(5) is bonded to one Ba(2), two equivalent Ba(1), and one Tb(2) atom to form distorted edge-sharing FBa3Tb tetrahedra. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Tb(1), and one Tb(2) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Ba(1), one Ba(2), and one Tb(2) atom. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Tb(2) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Ba(2), one Tb(1), and one Tb(2) atom. In the tenth F site, F(10) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Tb(2) atom. In the eleventh F site, F(11) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Tb(1) atom. In the twelfth F site, F(12) is bonded in a linear geometry to two equivalent Tb(1) atoms. In the thirteenth F site, F(13) is bonded in a linear geometry to two equivalent Tb(1) atoms. is represented by the CIF file [CIF]
data_BaTbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.523
_cell_length_b   8.808
_cell_length_c   8.943
_cell_angle_alpha   102.213
_cell_angle_beta   96.588
_cell_angle_gamma   113.458
_symmetry_Int_Tables_number   1
_cell_volume   518.036
_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
  Ba  Ba0  1  0.288  0.766  0.543  1.0
  Ba  Ba1  1  0.299  0.316  0.767  1.0
  Ba  Ba2  1  0.712  0.234  0.457  1.0
  Ba  Ba3  1  0.701  0.684  0.233  1.0
  Tb  Tb4  1  0.770  0.218  0.938  1.0
  Tb  Tb5  1  0.174  0.262  0.276  1.0
  Tb  Tb6  1  0.230  0.782  0.062  1.0
  Tb  Tb7  1  0.826  0.738  0.724  1.0
  F  F8  1  0.090  0.965  0.694  1.0
  F  F9  1  0.402  0.628  0.996  1.0
  F  F10  1  0.910  0.035  0.306  1.0
  F  F11  1  0.240  0.046  0.141  1.0
  F  F12  1  0.760  0.954  0.859  1.0
  F  F13  1  0.090  0.756  0.269  1.0
  F  F14  1  0.879  0.610  0.497  1.0
  F  F15  1  0.129  0.721  0.796  1.0
  F  F16  1  0.489  0.629  0.701  1.0
  F  F17  1  0.314  0.178  0.468  1.0
  F  F18  1  0.096  0.240  0.015  1.0
  F  F19  1  0.307  0.548  0.290  1.0
  F  F20  1  0.693  0.452  0.710  1.0
  F  F21  1  0.598  0.372  0.004  1.0
  F  F22  1  0.871  0.279  0.204  1.0
  F  F23  1  0.519  0.102  0.718  1.0
  F  F24  1  0.500  0.000  0.000  1.0
  F  F25  1  0.904  0.760  0.985  1.0
  F  F26  1  0.910  0.244  0.731  1.0
  F  F27  1  0.481  0.898  0.282  1.0
  F  F28  1  0.511  0.371  0.299  1.0
  F  F29  1  0.000  0.500  0.000  1.0
  F  F30  1  0.121  0.390  0.503  1.0
  F  F31  1  0.686  0.822  0.532  1.0
[/CIF]
.
The material structure described by BaTbF6 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one F(1), one F(10), one F(4), one F(6), one F(7), one F(8), two equivalent F(11), and two equivalent F(5) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one F(1), one F(10), one F(11), one F(4), one F(5), one F(7), one F(8), one F(9), and two equivalent F(2) atoms. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to one F(11), one F(12), one F(13), one F(2), one F(3), one F(4), one F(6), and one F(9) atom. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to one F(1), one F(10), one F(3), one F(5), one F(6), one F(7), one F(8), and one F(9) atom. There are thirteen inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Tb(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2) and one Tb(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Tb(1) and one Tb(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Ba(1), one Ba(2), and one Tb(1) atom. In the fifth F site, F(5) is bonded to one Ba(2), two equivalent Ba(1), and one Tb(2) atom to form distorted edge-sharing FBa3Tb tetrahedra. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Tb(1), and one Tb(2) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Ba(1), one Ba(2), and one Tb(2) atom. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Tb(2) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Ba(2), one Tb(1), and one Tb(2) atom. In the tenth F site, F(10) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Tb(2) atom. In the eleventh F site, F(11) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Tb(1) atom. In the twelfth F site, F(12) is bonded in a linear geometry to two equivalent Tb(1) atoms. In the thirteenth F site, F(13) is bonded in a linear geometry to two equivalent Tb(1) atoms. is represented by the CIF file [CIF]
data_BaTbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.523
_cell_length_b   8.808
_cell_length_c   8.943
_cell_angle_alpha   102.213
_cell_angle_beta   96.588
_cell_angle_gamma   113.458
_symmetry_Int_Tables_number   1
_cell_volume   518.036
_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
  Ba  Ba0  1  0.288  0.766  0.543  1.0
  Ba  Ba1  1  0.299  0.316  0.767  1.0
  Ba  Ba2  1  0.712  0.234  0.457  1.0
  Ba  Ba3  1  0.701  0.684  0.233  1.0
  Tb  Tb4  1  0.770  0.218  0.938  1.0
  Tb  Tb5  1  0.174  0.262  0.276  1.0
  Tb  Tb6  1  0.230  0.782  0.062  1.0
  Tb  Tb7  1  0.826  0.738  0.724  1.0
  F  F8  1  0.090  0.965  0.694  1.0
  F  F9  1  0.402  0.628  0.996  1.0
  F  F10  1  0.910  0.035  0.306  1.0
  F  F11  1  0.240  0.046  0.141  1.0
  F  F12  1  0.760  0.954  0.859  1.0
  F  F13  1  0.090  0.756  0.269  1.0
  F  F14  1  0.879  0.610  0.497  1.0
  F  F15  1  0.129  0.721  0.796  1.0
  F  F16  1  0.489  0.629  0.701  1.0
  F  F17  1  0.314  0.178  0.468  1.0
  F  F18  1  0.096  0.240  0.015  1.0
  F  F19  1  0.307  0.548  0.290  1.0
  F  F20  1  0.693  0.452  0.710  1.0
  F  F21  1  0.598  0.372  0.004  1.0
  F  F22  1  0.871  0.279  0.204  1.0
  F  F23  1  0.519  0.102  0.718  1.0
  F  F24  1  0.500  0.000  0.000  1.0
  F  F25  1  0.904  0.760  0.985  1.0
  F  F26  1  0.910  0.244  0.731  1.0
  F  F27  1  0.481  0.898  0.282  1.0
  F  F28  1  0.511  0.371  0.299  1.0
  F  F29  1  0.000  0.500  0.000  1.0
  F  F30  1  0.121  0.390  0.503  1.0
  F  F31  1  0.686  0.822  0.532  1.0
[/CIF]
.