The material structure described by ZrPdF6 crystallizes in the trigonal R-3 space group. Zr(1) is bonded to six equivalent F(1) atoms to form ZrF6 octahedra that share corners with six equivalent Pd(1)F6 octahedra. The corner-sharing octahedral tilt angles are 39°. Pd(1) is bonded to six equivalent F(1) atoms to form PdF6 octahedra that share corners with six equivalent Zr(1)F6 octahedra. The corner-sharing octahedral tilt angles are 39°. F(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one Pd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrPdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.785
_cell_length_b   5.787
_cell_length_c   5.786
_cell_angle_alpha   55.150
_cell_angle_beta   55.155
_cell_angle_gamma   55.134
_symmetry_Int_Tables_number   1
_cell_volume   121.509
_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
  Zr  Zr0  1  0.500  0.500  0.500  1.0
  Pd  Pd1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.609  0.259  0.871  1.0
  F  F3  1  0.258  0.871  0.610  1.0
  F  F4  1  0.129  0.390  0.740  1.0
  F  F5  1  0.742  0.129  0.390  1.0
  F  F6  1  0.391  0.741  0.129  1.0
  F  F7  1  0.871  0.610  0.260  1.0
[/CIF]
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The material structure described by ZrPdF6 crystallizes in the trigonal R-3 space group. Zr(1) is bonded to six equivalent F(1) atoms to form ZrF6 octahedra that share corners with six equivalent Pd(1)F6 octahedra. The corner-sharing octahedral tilt angles are 39°. Pd(1) is bonded to six equivalent F(1) atoms to form PdF6 octahedra that share corners with six equivalent Zr(1)F6 octahedra. The corner-sharing octahedral tilt angles are 39°. F(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one Pd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrPdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.785
_cell_length_b   5.787
_cell_length_c   5.786
_cell_angle_alpha   55.150
_cell_angle_beta   55.155
_cell_angle_gamma   55.134
_symmetry_Int_Tables_number   1
_cell_volume   121.509
_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
  Zr  Zr0  1  0.500  0.500  0.500  1.0
  Pd  Pd1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.609  0.259  0.871  1.0
  F  F3  1  0.258  0.871  0.610  1.0
  F  F4  1  0.129  0.390  0.740  1.0
  F  F5  1  0.742  0.129  0.390  1.0
  F  F6  1  0.391  0.741  0.129  1.0
  F  F7  1  0.871  0.610  0.260  1.0
[/CIF]
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