The material described by K3TbF6 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to four equivalent F(1) atoms. In the second K site, K(2) is bonded in a linear geometry to two equivalent F(2) atoms. Tb(1) is bonded in an octahedral geometry to two equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent K(1) and one Tb(1) atom. In the second F site, F(2) is bonded in a linear geometry to one 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   6.857
_cell_length_b   6.857
_cell_length_c   6.857
_cell_angle_alpha   95.469
_cell_angle_beta   116.894
_cell_angle_gamma   116.894
_symmetry_Int_Tables_number   1
_cell_volume   237.493
_cell_formula_units_Z   1
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  0.750  0.250  1.0
  K  K1  1  0.500  0.250  0.750  1.0
  K  K2  1  0.000  0.500  0.500  1.0
  Tb  Tb3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.694  0.694  0.000  1.0
  F  F5  1  0.306  0.306  0.000  1.0
  F  F6  1  0.694  0.000  0.694  1.0
  F  F7  1  0.306  0.000  0.306  1.0
  F  F8  1  0.000  0.761  0.761  1.0
  F  F9  1  0.000  0.239  0.239  1.0
[/CIF]
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The material described by K3TbF6 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to four equivalent F(1) atoms. In the second K site, K(2) is bonded in a linear geometry to two equivalent F(2) atoms. Tb(1) is bonded in an octahedral geometry to two equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent K(1) and one Tb(1) atom. In the second F site, F(2) is bonded in a linear geometry to one 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   6.857
_cell_length_b   6.857
_cell_length_c   6.857
_cell_angle_alpha   95.469
_cell_angle_beta   116.894
_cell_angle_gamma   116.894
_symmetry_Int_Tables_number   1
_cell_volume   237.493
_cell_formula_units_Z   1
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  0.750  0.250  1.0
  K  K1  1  0.500  0.250  0.750  1.0
  K  K2  1  0.000  0.500  0.500  1.0
  Tb  Tb3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.694  0.694  0.000  1.0
  F  F5  1  0.306  0.306  0.000  1.0
  F  F6  1  0.694  0.000  0.694  1.0
  F  F7  1  0.306  0.000  0.306  1.0
  F  F8  1  0.000  0.761  0.761  1.0
  F  F9  1  0.000  0.239  0.239  1.0
[/CIF]
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