The material described by TbCd2F8 crystallizes in the tetragonal I-4 space group. Tb(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. Cd(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing CdF6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent F sites. In the first F site, F(2) is bonded in a trigonal planar geometry to one Tb(1) and two equivalent Cd(1) atoms. In the second F site, F(1) is bonded in a bent 150 degrees geometry to one Tb(1) and one Cd(1) atom. is represented by the CIF card [CIF]
data_TbCd2F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.867
_cell_length_b   6.867
_cell_length_c   6.867
_cell_angle_alpha   134.180
_cell_angle_beta   134.180
_cell_angle_gamma   66.807
_symmetry_Int_Tables_number   1
_cell_volume   163.896
_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
  Tb  Tb0  1  0.500  0.500  0.000  1.0
  Cd  Cd1  1  0.177  0.177  0.000  1.0
  Cd  Cd2  1  0.823  0.823  0.000  1.0
  F  F3  1  0.262  0.815  0.958  1.0
  F  F4  1  0.697  0.738  0.554  1.0
  F  F5  1  0.185  0.143  0.446  1.0
  F  F6  1  0.846  0.864  0.368  1.0
  F  F7  1  0.522  0.154  0.018  1.0
  F  F8  1  0.136  0.504  0.982  1.0
  F  F9  1  0.496  0.478  0.632  1.0
  F  F10  1  0.857  0.303  0.042  1.0
[/CIF]
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The material described by TbCd2F8 crystallizes in the tetragonal I-4 space group. Tb(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. Cd(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing CdF6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent F sites. In the first F site, F(2) is bonded in a trigonal planar geometry to one Tb(1) and two equivalent Cd(1) atoms. In the second F site, F(1) is bonded in a bent 150 degrees geometry to one Tb(1) and one Cd(1) atom. is represented by the CIF card [CIF]
data_TbCd2F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.867
_cell_length_b   6.867
_cell_length_c   6.867
_cell_angle_alpha   134.180
_cell_angle_beta   134.180
_cell_angle_gamma   66.807
_symmetry_Int_Tables_number   1
_cell_volume   163.896
_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
  Tb  Tb0  1  0.500  0.500  0.000  1.0
  Cd  Cd1  1  0.177  0.177  0.000  1.0
  Cd  Cd2  1  0.823  0.823  0.000  1.0
  F  F3  1  0.262  0.815  0.958  1.0
  F  F4  1  0.697  0.738  0.554  1.0
  F  F5  1  0.185  0.143  0.446  1.0
  F  F6  1  0.846  0.864  0.368  1.0
  F  F7  1  0.522  0.154  0.018  1.0
  F  F8  1  0.136  0.504  0.982  1.0
  F  F9  1  0.496  0.478  0.632  1.0
  F  F10  1  0.857  0.303  0.042  1.0
[/CIF]
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