The material structure described by ZrPd3F6 crystallizes in the triclinic P-1 space group. Zr(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a linear geometry to two equivalent F(2) atoms. In the second Pd site, Pd(2) is bonded in a linear geometry to two equivalent F(3) atoms. In the third Pd site, Pd(3) is bonded in a linear geometry to two equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Zr(1) and one Pd(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Zr(1) and one Pd(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Zr(1) and one Pd(2) atom. is represented by the CIF card [CIF]
data_ZrPd3F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.263
_cell_length_b   6.874
_cell_length_c   8.060
_cell_angle_alpha   77.171
_cell_angle_beta   108.544
_cell_angle_gamma   105.548
_symmetry_Int_Tables_number   1
_cell_volume   263.352
_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  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.000  0.000  0.500  1.0
  Pd  Pd2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.500  0.000  1.0
  F  F4  1  0.839  0.250  0.857  1.0
  F  F5  1  0.161  0.750  0.143  1.0
  F  F6  1  0.998  0.929  0.766  1.0
  F  F7  1  0.002  0.071  0.234  1.0
  F  F8  1  0.612  0.822  0.982  1.0
  F  F9  1  0.388  0.178  0.018  1.0
[/CIF]
.
The material structure described by ZrPd3F6 crystallizes in the triclinic P-1 space group. Zr(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a linear geometry to two equivalent F(2) atoms. In the second Pd site, Pd(2) is bonded in a linear geometry to two equivalent F(3) atoms. In the third Pd site, Pd(3) is bonded in a linear geometry to two equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Zr(1) and one Pd(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Zr(1) and one Pd(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Zr(1) and one Pd(2) atom. is represented by the CIF card [CIF]
data_ZrPd3F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.263
_cell_length_b   6.874
_cell_length_c   8.060
_cell_angle_alpha   77.171
_cell_angle_beta   108.544
_cell_angle_gamma   105.548
_symmetry_Int_Tables_number   1
_cell_volume   263.352
_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  0.000  0.000  0.000  1.0
  Pd  Pd1  1  0.000  0.000  0.500  1.0
  Pd  Pd2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.500  0.000  1.0
  F  F4  1  0.839  0.250  0.857  1.0
  F  F5  1  0.161  0.750  0.143  1.0
  F  F6  1  0.998  0.929  0.766  1.0
  F  F7  1  0.002  0.071  0.234  1.0
  F  F8  1  0.612  0.822  0.982  1.0
  F  F9  1  0.388  0.178  0.018  1.0
[/CIF]
.