The material described by K2TbF6 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 10-coordinate geometry to two equivalent F(1), four equivalent F(2), and four equivalent F(3) atoms. Tb(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), and four equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Tb(1) atoms. In the second F site, F(2) is bonded to four equivalent K(1) and one Tb(1) atom to form a mixture of distorted face, corner, and edge-sharing FK4Tb square pyramids. In the third F site, F(3) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Tb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2TbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.492
_cell_length_b   6.492
_cell_length_c   7.283
_cell_angle_alpha   88.901
_cell_angle_beta   88.901
_cell_angle_gamma   115.178
_symmetry_Int_Tables_number   1
_cell_volume   277.638
_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  0.687  0.374  1.000  1.0
  K  K1  1  0.626  0.313  0.500  1.0
  K  K2  1  0.374  0.687  0.500  1.0
  K  K3  1  0.313  0.626  0.000  1.0
  Tb  Tb4  1  0.961  0.039  0.750  1.0
  Tb  Tb5  1  0.039  0.961  0.250  1.0
  F  F6  1  0.058  0.840  0.958  1.0
  F  F7  1  0.160  0.942  0.542  1.0
  F  F8  1  0.942  0.160  0.042  1.0
  F  F9  1  0.840  0.058  0.458  1.0
  F  F10  1  0.409  0.010  0.219  1.0
  F  F11  1  0.990  0.591  0.281  1.0
  F  F12  1  0.323  0.297  0.782  1.0
  F  F13  1  0.703  0.677  0.718  1.0
  F  F14  1  0.677  0.703  0.218  1.0
  F  F15  1  0.297  0.323  0.282  1.0
  F  F16  1  0.010  0.409  0.719  1.0
  F  F17  1  0.591  0.990  0.781  1.0
[/CIF]
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The material described by K2TbF6 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 10-coordinate geometry to two equivalent F(1), four equivalent F(2), and four equivalent F(3) atoms. Tb(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), and four equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Tb(1) atoms. In the second F site, F(2) is bonded to four equivalent K(1) and one Tb(1) atom to form a mixture of distorted face, corner, and edge-sharing FK4Tb square pyramids. In the third F site, F(3) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Tb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2TbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.492
_cell_length_b   6.492
_cell_length_c   7.283
_cell_angle_alpha   88.901
_cell_angle_beta   88.901
_cell_angle_gamma   115.178
_symmetry_Int_Tables_number   1
_cell_volume   277.638
_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  0.687  0.374  1.000  1.0
  K  K1  1  0.626  0.313  0.500  1.0
  K  K2  1  0.374  0.687  0.500  1.0
  K  K3  1  0.313  0.626  0.000  1.0
  Tb  Tb4  1  0.961  0.039  0.750  1.0
  Tb  Tb5  1  0.039  0.961  0.250  1.0
  F  F6  1  0.058  0.840  0.958  1.0
  F  F7  1  0.160  0.942  0.542  1.0
  F  F8  1  0.942  0.160  0.042  1.0
  F  F9  1  0.840  0.058  0.458  1.0
  F  F10  1  0.409  0.010  0.219  1.0
  F  F11  1  0.990  0.591  0.281  1.0
  F  F12  1  0.323  0.297  0.782  1.0
  F  F13  1  0.703  0.677  0.718  1.0
  F  F14  1  0.677  0.703  0.218  1.0
  F  F15  1  0.297  0.323  0.282  1.0
  F  F16  1  0.010  0.409  0.719  1.0
  F  F17  1  0.591  0.990  0.781  1.0
[/CIF]
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