The material described by PdHgF4 crystallizes in the monoclinic P2_1/c space group. Pd(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form PdF6 octahedra that share corners with four equivalent Pd(1)F6 octahedra and corners with eight equivalent Hg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. Hg(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form HgF6 octahedra that share corners with four equivalent Hg(1)F6 octahedra and corners with eight equivalent Pd(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Pd(1) and one Hg(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Pd(1) and two equivalent Hg(1) atoms. is represented by the CIF file [CIF]
data_HgPdF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.573
_cell_length_b   5.574
_cell_length_c   5.637
_cell_angle_alpha   89.468
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   175.112
_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
  Hg  Hg0  1  0.500  0.000  0.500  1.0
  Hg  Hg1  1  0.000  0.500  0.500  1.0
  Pd  Pd2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.828  0.676  0.847  1.0
  F  F5  1  0.328  0.824  0.153  1.0
  F  F6  1  0.154  0.146  0.671  1.0
  F  F7  1  0.654  0.354  0.329  1.0
  F  F8  1  0.172  0.324  0.153  1.0
  F  F9  1  0.672  0.176  0.847  1.0
  F  F10  1  0.846  0.854  0.329  1.0
  F  F11  1  0.346  0.646  0.671  1.0
[/CIF]
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The material described by PdHgF4 crystallizes in the monoclinic P2_1/c space group. Pd(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form PdF6 octahedra that share corners with four equivalent Pd(1)F6 octahedra and corners with eight equivalent Hg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. Hg(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form HgF6 octahedra that share corners with four equivalent Hg(1)F6 octahedra and corners with eight equivalent Pd(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Pd(1) and one Hg(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Pd(1) and two equivalent Hg(1) atoms. is represented by the CIF file [CIF]
data_HgPdF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.573
_cell_length_b   5.574
_cell_length_c   5.637
_cell_angle_alpha   89.468
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   175.112
_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
  Hg  Hg0  1  0.500  0.000  0.500  1.0
  Hg  Hg1  1  0.000  0.500  0.500  1.0
  Pd  Pd2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.828  0.676  0.847  1.0
  F  F5  1  0.328  0.824  0.153  1.0
  F  F6  1  0.154  0.146  0.671  1.0
  F  F7  1  0.654  0.354  0.329  1.0
  F  F8  1  0.172  0.324  0.153  1.0
  F  F9  1  0.672  0.176  0.847  1.0
  F  F10  1  0.846  0.854  0.329  1.0
  F  F11  1  0.346  0.646  0.671  1.0
[/CIF]
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