The compound described by ZrFeF6 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 Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles are 24°. Fe(1) is bonded to six equivalent F(1) atoms to form FeF6 octahedra that share corners with six equivalent Zr(1)F6 octahedra. The corner-sharing octahedral tilt angles are 24°. F(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrFeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.618
_cell_length_b   5.618
_cell_length_c   5.618
_cell_angle_alpha   60.161
_cell_angle_beta   60.161
_cell_angle_gamma   60.161
_symmetry_Int_Tables_number   1
_cell_volume   125.844
_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
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.743  0.327  0.177  1.0
  F  F3  1  0.673  0.823  0.257  1.0
  F  F4  1  0.177  0.743  0.327  1.0
  F  F5  1  0.823  0.257  0.673  1.0
  F  F6  1  0.257  0.673  0.823  1.0
  F  F7  1  0.327  0.177  0.743  1.0
[/CIF]
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The compound described by ZrFeF6 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 Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles are 24°. Fe(1) is bonded to six equivalent F(1) atoms to form FeF6 octahedra that share corners with six equivalent Zr(1)F6 octahedra. The corner-sharing octahedral tilt angles are 24°. F(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrFeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.618
_cell_length_b   5.618
_cell_length_c   5.618
_cell_angle_alpha   60.161
_cell_angle_beta   60.161
_cell_angle_gamma   60.161
_symmetry_Int_Tables_number   1
_cell_volume   125.844
_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
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.743  0.327  0.177  1.0
  F  F3  1  0.673  0.823  0.257  1.0
  F  F4  1  0.177  0.743  0.327  1.0
  F  F5  1  0.823  0.257  0.673  1.0
  F  F6  1  0.257  0.673  0.823  1.0
  F  F7  1  0.327  0.177  0.743  1.0
[/CIF]
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