The crystal structure described by K3TbF6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form KF6 octahedra that share corners with six equivalent Tb(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 34-43°. In the second K site, K(2) is bonded in a 7-coordinate geometry to two equivalent F(1), two equivalent F(2), and three equivalent F(3) atoms. Tb(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form TbF6 octahedra that share corners with six equivalent K(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 34-43°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Tb(1) atom. In the second F site, F(2) is bonded to one K(1), two equivalent K(2), and one Tb(1) atom to form distorted corner-sharing FK3Tb tetrahedra. In the third F site, F(3) is bonded in a 5-coordinate geometry to one K(1), three equivalent K(2), and one Tb(1) atom. is represented by the CIF card [CIF]
data_K3TbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.579
_cell_length_b   6.282
_cell_length_c   10.816
_cell_angle_alpha   55.844
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   369.941
_cell_formula_units_Z   2
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  0.500  0.500  0.000  1.0
  K  K1  1  0.000  0.500  0.500  1.0
  K  K2  1  0.059  0.724  0.756  1.0
  K  K3  1  0.941  0.276  0.244  1.0
  K  K4  1  0.559  0.276  0.744  1.0
  K  K5  1  0.441  0.724  0.256  1.0
  Tb  Tb6  1  0.500  0.000  0.500  1.0
  Tb  Tb7  1  0.000  0.000  0.000  1.0
  F  F8  1  0.773  0.757  0.575  1.0
  F  F9  1  0.227  0.243  0.425  1.0
  F  F10  1  0.273  0.243  0.925  1.0
  F  F11  1  0.727  0.757  0.075  1.0
  F  F12  1  0.438  0.895  0.726  1.0
  F  F13  1  0.562  0.105  0.274  1.0
  F  F14  1  0.938  0.105  0.774  1.0
  F  F15  1  0.062  0.895  0.226  1.0
  F  F16  1  0.324  0.664  0.552  1.0
  F  F17  1  0.676  0.336  0.448  1.0
  F  F18  1  0.824  0.336  0.948  1.0
  F  F19  1  0.176  0.664  0.052  1.0
[/CIF]
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The crystal structure described by K3TbF6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form KF6 octahedra that share corners with six equivalent Tb(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 34-43°. In the second K site, K(2) is bonded in a 7-coordinate geometry to two equivalent F(1), two equivalent F(2), and three equivalent F(3) atoms. Tb(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form TbF6 octahedra that share corners with six equivalent K(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 34-43°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Tb(1) atom. In the second F site, F(2) is bonded to one K(1), two equivalent K(2), and one Tb(1) atom to form distorted corner-sharing FK3Tb tetrahedra. In the third F site, F(3) is bonded in a 5-coordinate geometry to one K(1), three equivalent K(2), and one Tb(1) atom. is represented by the CIF card [CIF]
data_K3TbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.579
_cell_length_b   6.282
_cell_length_c   10.816
_cell_angle_alpha   55.844
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   369.941
_cell_formula_units_Z   2
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  0.500  0.500  0.000  1.0
  K  K1  1  0.000  0.500  0.500  1.0
  K  K2  1  0.059  0.724  0.756  1.0
  K  K3  1  0.941  0.276  0.244  1.0
  K  K4  1  0.559  0.276  0.744  1.0
  K  K5  1  0.441  0.724  0.256  1.0
  Tb  Tb6  1  0.500  0.000  0.500  1.0
  Tb  Tb7  1  0.000  0.000  0.000  1.0
  F  F8  1  0.773  0.757  0.575  1.0
  F  F9  1  0.227  0.243  0.425  1.0
  F  F10  1  0.273  0.243  0.925  1.0
  F  F11  1  0.727  0.757  0.075  1.0
  F  F12  1  0.438  0.895  0.726  1.0
  F  F13  1  0.562  0.105  0.274  1.0
  F  F14  1  0.938  0.105  0.774  1.0
  F  F15  1  0.062  0.895  0.226  1.0
  F  F16  1  0.324  0.664  0.552  1.0
  F  F17  1  0.676  0.336  0.448  1.0
  F  F18  1  0.824  0.336  0.948  1.0
  F  F19  1  0.176  0.664  0.052  1.0
[/CIF]
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