The compound described by KTbF5 crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one F(1), one F(12), one F(13), one F(15), one F(2), one F(6), one F(7), and one F(8) atom. In the second K site, K(2) is bonded in a 10-coordinate geometry to one F(1), one F(14), one F(2), one F(4), one F(6), one F(8), two equivalent F(5), and two equivalent F(9) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one F(13), one F(2), one F(4), one F(7), two equivalent F(10), and two equivalent F(15) atoms. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to one F(1), one F(11), one F(4), one F(5), one F(6), one F(8), and two equivalent F(12) atoms. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to one F(1), one F(10), one F(2), one F(3), one F(4), one F(5), one F(7), and one F(9) atom. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to one F(10), one F(11), one F(14), one F(15), one F(3), one F(7), and two equivalent F(13) atoms. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded to one K(1), one K(2), one Tb(1), and one Tb(2) atom to form a mixture of corner and edge-sharing FK2Tb2 tetrahedra. In the second F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one K(2), one K(3), and one Tb(2) atom. In the third F site, F(3) is bonded in a linear geometry to one Tb(2) and one Tb(3) atom. In the fourth F site, F(4) is bonded to one K(2), one K(3), one Tb(1), and one Tb(2) atom to form a mixture of corner and edge-sharing FK2Tb2 tetrahedra. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to two equivalent K(2), one Tb(1), and one Tb(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(2), and one Tb(1) atom. In the seventh F site, F(7) is bonded to one K(1), one K(3), one Tb(2), and one Tb(3) atom to form a mixture of corner and edge-sharing FK2Tb2 tetrahedra. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Tb(1) atom. In the ninth F site, F(9) is bonded in a distorted T-shaped geometry to two equivalent K(2) and one Tb(2) atom. In the tenth F site, F(10) is bonded to two equivalent K(3), one Tb(2), and one Tb(3) atom to form a mixture of corner and edge-sharing FK2Tb2 tetrahedra. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Tb(1) and one Tb(3) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal non-coplanar geometry to one K(1) and two equivalent Tb(1) atoms. In the thirteenth F site, F(13) is bonded to one K(1), one K(3), and two equivalent Tb(3) atoms to form a mixture of corner and edge-sharing FK2Tb2 tetrahedra. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one K(2) and one Tb(3) atom. In the fifteenth F site, F(15) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(3), and one Tb(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KTbF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.416
_cell_length_b   8.581
_cell_length_c   11.178
_cell_angle_alpha   79.056
_cell_angle_beta   75.672
_cell_angle_gamma   70.534
_symmetry_Int_Tables_number   1
_cell_volume   645.353
_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
  K  K0  1  0.282  0.502  0.236  1.0
  K  K1  1  0.277  0.848  0.934  1.0
  K  K2  1  0.766  0.822  0.426  1.0
  K  K3  1  0.234  0.178  0.574  1.0
  K  K4  1  0.723  0.152  0.066  1.0
  K  K5  1  0.718  0.498  0.764  1.0
  Tb  Tb6  1  0.761  0.666  0.085  1.0
  Tb  Tb7  1  0.705  0.037  0.742  1.0
  Tb  Tb8  1  0.239  0.334  0.915  1.0
  Tb  Tb9  1  0.295  0.963  0.258  1.0
  Tb  Tb10  1  0.731  0.333  0.441  1.0
  Tb  Tb11  1  0.269  0.667  0.559  1.0
  F  F12  1  0.426  0.751  0.137  1.0
  F  F13  1  0.618  0.816  0.692  1.0
  F  F14  1  0.982  0.853  0.645  1.0
  F  F15  1  0.372  0.111  0.795  1.0
  F  F16  1  0.685  0.872  0.928  1.0
  F  F17  1  0.983  0.257  0.880  1.0
  F  F18  1  0.163  0.764  0.374  1.0
  F  F19  1  0.659  0.487  0.014  1.0
  F  F20  1  0.041  0.964  0.155  1.0
  F  F21  1  0.017  0.743  0.120  1.0
  F  F22  1  0.341  0.513  0.986  1.0
  F  F23  1  0.959  0.036  0.845  1.0
  F  F24  1  0.315  0.128  0.072  1.0
  F  F25  1  0.626  0.114  0.549  1.0
  F  F26  1  0.628  0.889  0.205  1.0
  F  F27  1  0.708  0.534  0.278  1.0
  F  F28  1  0.980  0.579  0.899  1.0
  F  F29  1  0.374  0.886  0.451  1.0
  F  F30  1  0.400  0.436  0.459  1.0
  F  F31  1  0.020  0.421  0.101  1.0
  F  F32  1  0.574  0.249  0.863  1.0
  F  F33  1  0.292  0.466  0.722  1.0
  F  F34  1  0.652  0.210  0.294  1.0
  F  F35  1  0.600  0.564  0.541  1.0
  F  F36  1  0.837  0.236  0.626  1.0
  F  F37  1  0.004  0.555  0.571  1.0
  F  F38  1  0.382  0.184  0.308  1.0
  F  F39  1  0.348  0.790  0.706  1.0
  F  F40  1  0.018  0.147  0.355  1.0
  F  F41  1  0.996  0.445  0.429  1.0
[/CIF]
.
The compound described by KTbF5 crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one F(1), one F(12), one F(13), one F(15), one F(2), one F(6), one F(7), and one F(8) atom. In the second K site, K(2) is bonded in a 10-coordinate geometry to one F(1), one F(14), one F(2), one F(4), one F(6), one F(8), two equivalent F(5), and two equivalent F(9) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one F(13), one F(2), one F(4), one F(7), two equivalent F(10), and two equivalent F(15) atoms. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to one F(1), one F(11), one F(4), one F(5), one F(6), one F(8), and two equivalent F(12) atoms. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to one F(1), one F(10), one F(2), one F(3), one F(4), one F(5), one F(7), and one F(9) atom. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to one F(10), one F(11), one F(14), one F(15), one F(3), one F(7), and two equivalent F(13) atoms. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded to one K(1), one K(2), one Tb(1), and one Tb(2) atom to form a mixture of corner and edge-sharing FK2Tb2 tetrahedra. In the second F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one K(2), one K(3), and one Tb(2) atom. In the third F site, F(3) is bonded in a linear geometry to one Tb(2) and one Tb(3) atom. In the fourth F site, F(4) is bonded to one K(2), one K(3), one Tb(1), and one Tb(2) atom to form a mixture of corner and edge-sharing FK2Tb2 tetrahedra. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to two equivalent K(2), one Tb(1), and one Tb(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(2), and one Tb(1) atom. In the seventh F site, F(7) is bonded to one K(1), one K(3), one Tb(2), and one Tb(3) atom to form a mixture of corner and edge-sharing FK2Tb2 tetrahedra. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Tb(1) atom. In the ninth F site, F(9) is bonded in a distorted T-shaped geometry to two equivalent K(2) and one Tb(2) atom. In the tenth F site, F(10) is bonded to two equivalent K(3), one Tb(2), and one Tb(3) atom to form a mixture of corner and edge-sharing FK2Tb2 tetrahedra. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Tb(1) and one Tb(3) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal non-coplanar geometry to one K(1) and two equivalent Tb(1) atoms. In the thirteenth F site, F(13) is bonded to one K(1), one K(3), and two equivalent Tb(3) atoms to form a mixture of corner and edge-sharing FK2Tb2 tetrahedra. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one K(2) and one Tb(3) atom. In the fifteenth F site, F(15) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(3), and one Tb(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KTbF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.416
_cell_length_b   8.581
_cell_length_c   11.178
_cell_angle_alpha   79.056
_cell_angle_beta   75.672
_cell_angle_gamma   70.534
_symmetry_Int_Tables_number   1
_cell_volume   645.353
_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
  K  K0  1  0.282  0.502  0.236  1.0
  K  K1  1  0.277  0.848  0.934  1.0
  K  K2  1  0.766  0.822  0.426  1.0
  K  K3  1  0.234  0.178  0.574  1.0
  K  K4  1  0.723  0.152  0.066  1.0
  K  K5  1  0.718  0.498  0.764  1.0
  Tb  Tb6  1  0.761  0.666  0.085  1.0
  Tb  Tb7  1  0.705  0.037  0.742  1.0
  Tb  Tb8  1  0.239  0.334  0.915  1.0
  Tb  Tb9  1  0.295  0.963  0.258  1.0
  Tb  Tb10  1  0.731  0.333  0.441  1.0
  Tb  Tb11  1  0.269  0.667  0.559  1.0
  F  F12  1  0.426  0.751  0.137  1.0
  F  F13  1  0.618  0.816  0.692  1.0
  F  F14  1  0.982  0.853  0.645  1.0
  F  F15  1  0.372  0.111  0.795  1.0
  F  F16  1  0.685  0.872  0.928  1.0
  F  F17  1  0.983  0.257  0.880  1.0
  F  F18  1  0.163  0.764  0.374  1.0
  F  F19  1  0.659  0.487  0.014  1.0
  F  F20  1  0.041  0.964  0.155  1.0
  F  F21  1  0.017  0.743  0.120  1.0
  F  F22  1  0.341  0.513  0.986  1.0
  F  F23  1  0.959  0.036  0.845  1.0
  F  F24  1  0.315  0.128  0.072  1.0
  F  F25  1  0.626  0.114  0.549  1.0
  F  F26  1  0.628  0.889  0.205  1.0
  F  F27  1  0.708  0.534  0.278  1.0
  F  F28  1  0.980  0.579  0.899  1.0
  F  F29  1  0.374  0.886  0.451  1.0
  F  F30  1  0.400  0.436  0.459  1.0
  F  F31  1  0.020  0.421  0.101  1.0
  F  F32  1  0.574  0.249  0.863  1.0
  F  F33  1  0.292  0.466  0.722  1.0
  F  F34  1  0.652  0.210  0.294  1.0
  F  F35  1  0.600  0.564  0.541  1.0
  F  F36  1  0.837  0.236  0.626  1.0
  F  F37  1  0.004  0.555  0.571  1.0
  F  F38  1  0.382  0.184  0.308  1.0
  F  F39  1  0.348  0.790  0.706  1.0
  F  F40  1  0.018  0.147  0.355  1.0
  F  F41  1  0.996  0.445  0.429  1.0
[/CIF]
.