The material described by PdPb2F6 crystallizes in the orthorhombic Cmce space group. Pd(1) is bonded in a square co-planar geometry to four equivalent F(2) atoms. Pb(1) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(2) is bonded in a distorted trigonal planar geometry to one Pd(1) and two equivalent Pb(1) atoms. In the second F site, F(1) is bonded to four equivalent Pb(1) atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra. is represented by the CIF card [CIF]
data_PdPb2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.880
_cell_length_b   8.880
_cell_length_c   5.900
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   141.131
_symmetry_Int_Tables_number   1
_cell_volume   291.943
_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
  Pd  Pd0  1  0.500  0.500  0.500  1.0
  Pd  Pd1  1  0.000  0.000  0.000  1.0
  Pb  Pb2  1  0.162  0.838  0.500  1.0
  Pb  Pb3  1  0.838  0.162  0.500  1.0
  Pb  Pb4  1  0.338  0.662  0.000  1.0
  Pb  Pb5  1  0.662  0.338  0.000  1.0
  F  F6  1  0.508  0.008  0.750  1.0
  F  F7  1  0.492  0.992  0.250  1.0
  F  F8  1  0.992  0.492  0.250  1.0
  F  F9  1  0.008  0.508  0.750  1.0
  F  F10  1  0.581  0.750  0.666  1.0
  F  F11  1  0.419  0.250  0.334  1.0
  F  F12  1  0.919  0.750  0.166  1.0
  F  F13  1  0.250  0.081  0.834  1.0
  F  F14  1  0.081  0.250  0.834  1.0
  F  F15  1  0.750  0.919  0.166  1.0
  F  F16  1  0.250  0.419  0.334  1.0
  F  F17  1  0.750  0.581  0.666  1.0
[/CIF]
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The material described by PdPb2F6 crystallizes in the orthorhombic Cmce space group. Pd(1) is bonded in a square co-planar geometry to four equivalent F(2) atoms. Pb(1) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(2) is bonded in a distorted trigonal planar geometry to one Pd(1) and two equivalent Pb(1) atoms. In the second F site, F(1) is bonded to four equivalent Pb(1) atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra. is represented by the CIF card [CIF]
data_PdPb2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.880
_cell_length_b   8.880
_cell_length_c   5.900
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   141.131
_symmetry_Int_Tables_number   1
_cell_volume   291.943
_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
  Pd  Pd0  1  0.500  0.500  0.500  1.0
  Pd  Pd1  1  0.000  0.000  0.000  1.0
  Pb  Pb2  1  0.162  0.838  0.500  1.0
  Pb  Pb3  1  0.838  0.162  0.500  1.0
  Pb  Pb4  1  0.338  0.662  0.000  1.0
  Pb  Pb5  1  0.662  0.338  0.000  1.0
  F  F6  1  0.508  0.008  0.750  1.0
  F  F7  1  0.492  0.992  0.250  1.0
  F  F8  1  0.992  0.492  0.250  1.0
  F  F9  1  0.008  0.508  0.750  1.0
  F  F10  1  0.581  0.750  0.666  1.0
  F  F11  1  0.419  0.250  0.334  1.0
  F  F12  1  0.919  0.750  0.166  1.0
  F  F13  1  0.250  0.081  0.834  1.0
  F  F14  1  0.081  0.250  0.834  1.0
  F  F15  1  0.750  0.919  0.166  1.0
  F  F16  1  0.250  0.419  0.334  1.0
  F  F17  1  0.750  0.581  0.666  1.0
[/CIF]
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