The material structure described by KTeF5 crystallizes in the orthorhombic Pbcm 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. Te(1) is bonded in a distorted square pyramidal geometry to one F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Te(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Te(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Te(1) atom. is represented by the CIF file [CIF]
data_KTeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.639
_cell_length_b   9.100
_cell_length_c   11.285
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   476.480
_cell_formula_units_Z   4
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  0.489  0.250  0.000  1.0
  K  K1  1  0.511  0.750  0.500  1.0
  K  K2  1  0.511  0.750  0.000  1.0
  K  K3  1  0.489  0.250  0.500  1.0
  Te  Te4  1  0.118  0.060  0.250  1.0
  Te  Te5  1  0.118  0.440  0.750  1.0
  Te  Te6  1  0.882  0.560  0.250  1.0
  Te  Te7  1  0.882  0.940  0.750  1.0
  F  F8  1  0.600  0.790  0.750  1.0
  F  F9  1  0.600  0.710  0.250  1.0
  F  F10  1  0.400  0.290  0.750  1.0
  F  F11  1  0.400  0.210  0.250  1.0
  F  F12  1  0.969  0.193  0.375  1.0
  F  F13  1  0.969  0.307  0.625  1.0
  F  F14  1  0.031  0.693  0.125  1.0
  F  F15  1  0.031  0.807  0.875  1.0
  F  F16  1  0.386  0.988  0.127  1.0
  F  F17  1  0.386  0.512  0.873  1.0
  F  F18  1  0.614  0.488  0.373  1.0
  F  F19  1  0.614  0.012  0.627  1.0
  F  F20  1  0.614  0.012  0.873  1.0
  F  F21  1  0.614  0.488  0.127  1.0
  F  F22  1  0.386  0.512  0.627  1.0
  F  F23  1  0.386  0.988  0.373  1.0
  F  F24  1  0.969  0.193  0.125  1.0
  F  F25  1  0.969  0.307  0.875  1.0
  F  F26  1  0.031  0.693  0.375  1.0
  F  F27  1  0.031  0.807  0.625  1.0
[/CIF]
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The material structure described by KTeF5 crystallizes in the orthorhombic Pbcm 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. Te(1) is bonded in a distorted square pyramidal geometry to one F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Te(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Te(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Te(1) atom. is represented by the CIF file [CIF]
data_KTeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.639
_cell_length_b   9.100
_cell_length_c   11.285
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   476.480
_cell_formula_units_Z   4
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  0.489  0.250  0.000  1.0
  K  K1  1  0.511  0.750  0.500  1.0
  K  K2  1  0.511  0.750  0.000  1.0
  K  K3  1  0.489  0.250  0.500  1.0
  Te  Te4  1  0.118  0.060  0.250  1.0
  Te  Te5  1  0.118  0.440  0.750  1.0
  Te  Te6  1  0.882  0.560  0.250  1.0
  Te  Te7  1  0.882  0.940  0.750  1.0
  F  F8  1  0.600  0.790  0.750  1.0
  F  F9  1  0.600  0.710  0.250  1.0
  F  F10  1  0.400  0.290  0.750  1.0
  F  F11  1  0.400  0.210  0.250  1.0
  F  F12  1  0.969  0.193  0.375  1.0
  F  F13  1  0.969  0.307  0.625  1.0
  F  F14  1  0.031  0.693  0.125  1.0
  F  F15  1  0.031  0.807  0.875  1.0
  F  F16  1  0.386  0.988  0.127  1.0
  F  F17  1  0.386  0.512  0.873  1.0
  F  F18  1  0.614  0.488  0.373  1.0
  F  F19  1  0.614  0.012  0.627  1.0
  F  F20  1  0.614  0.012  0.873  1.0
  F  F21  1  0.614  0.488  0.127  1.0
  F  F22  1  0.386  0.512  0.627  1.0
  F  F23  1  0.386  0.988  0.373  1.0
  F  F24  1  0.969  0.193  0.125  1.0
  F  F25  1  0.969  0.307  0.875  1.0
  F  F26  1  0.031  0.693  0.375  1.0
  F  F27  1  0.031  0.807  0.625  1.0
[/CIF]
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