The structure described by PbZrF6 crystallizes in the orthorhombic Cmme space group. Zr(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. Pb(1) is bonded in a distorted pentagonal pyramidal 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 distorted bent 150 degrees geometry to one Zr(1) and one Pb(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Zr(1) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrPbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.310
_cell_length_b   6.766
_cell_length_c   6.766
_cell_angle_alpha   112.410
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.770
_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
  Zr  Zr0  1  0.000  0.750  0.750  1.0
  Zr  Zr1  1  0.000  0.250  0.250  1.0
  Pb  Pb2  1  0.466  0.750  0.250  1.0
  Pb  Pb3  1  0.534  0.250  0.750  1.0
  F  F4  1  0.744  0.442  0.184  1.0
  F  F5  1  0.744  0.058  0.316  1.0
  F  F6  1  0.256  0.184  0.442  1.0
  F  F7  1  0.256  0.316  0.058  1.0
  F  F8  1  0.836  0.431  0.569  1.0
  F  F9  1  0.836  0.069  0.931  1.0
  F  F10  1  0.164  0.569  0.431  1.0
  F  F11  1  0.164  0.931  0.069  1.0
  F  F12  1  0.744  0.684  0.942  1.0
  F  F13  1  0.744  0.816  0.558  1.0
  F  F14  1  0.256  0.942  0.684  1.0
  F  F15  1  0.256  0.558  0.816  1.0
[/CIF]
.
The structure described by PbZrF6 crystallizes in the orthorhombic Cmme space group. Zr(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. Pb(1) is bonded in a distorted pentagonal pyramidal 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 distorted bent 150 degrees geometry to one Zr(1) and one Pb(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Zr(1) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrPbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.310
_cell_length_b   6.766
_cell_length_c   6.766
_cell_angle_alpha   112.410
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.770
_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
  Zr  Zr0  1  0.000  0.750  0.750  1.0
  Zr  Zr1  1  0.000  0.250  0.250  1.0
  Pb  Pb2  1  0.466  0.750  0.250  1.0
  Pb  Pb3  1  0.534  0.250  0.750  1.0
  F  F4  1  0.744  0.442  0.184  1.0
  F  F5  1  0.744  0.058  0.316  1.0
  F  F6  1  0.256  0.184  0.442  1.0
  F  F7  1  0.256  0.316  0.058  1.0
  F  F8  1  0.836  0.431  0.569  1.0
  F  F9  1  0.836  0.069  0.931  1.0
  F  F10  1  0.164  0.569  0.431  1.0
  F  F11  1  0.164  0.931  0.069  1.0
  F  F12  1  0.744  0.684  0.942  1.0
  F  F13  1  0.744  0.816  0.558  1.0
  F  F14  1  0.256  0.942  0.684  1.0
  F  F15  1  0.256  0.558  0.816  1.0
[/CIF]
.