The material described by FeZnO2F5 crystallizes in the orthorhombic Imma space group. Fe(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form FeF6 octahedra that share corners with two equivalent Fe(1)F6 octahedra and corners with four equivalent Zn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. Zn(1) is bonded to two equivalent O(1) and four equivalent F(2) atoms to form ZnO2F4 octahedra that share corners with four equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles are 41°. O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one O(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnFeO2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.368
_cell_length_b   7.368
_cell_length_c   7.368
_cell_angle_alpha   133.982
_cell_angle_beta   117.836
_cell_angle_gamma   80.713
_symmetry_Int_Tables_number   1
_cell_volume   246.006
_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
  Zn  Zn0  1  0.500  0.500  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.535  0.952  0.417  1.0
  O  O5  1  0.465  0.048  0.583  1.0
  O  O6  1  0.035  0.617  0.583  1.0
  O  O7  1  0.965  0.383  0.417  1.0
  F  F8  1  0.750  0.383  0.633  1.0
  F  F9  1  0.250  0.617  0.367  1.0
  F  F10  1  0.444  0.596  0.788  1.0
  F  F11  1  0.193  0.404  0.848  1.0
  F  F12  1  0.944  0.156  0.848  1.0
  F  F13  1  0.693  0.844  0.788  1.0
  F  F14  1  0.556  0.404  0.212  1.0
  F  F15  1  0.807  0.596  0.152  1.0
  F  F16  1  0.056  0.844  0.152  1.0
  F  F17  1  0.307  0.156  0.212  1.0
[/CIF]
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The material described by FeZnO2F5 crystallizes in the orthorhombic Imma space group. Fe(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form FeF6 octahedra that share corners with two equivalent Fe(1)F6 octahedra and corners with four equivalent Zn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. Zn(1) is bonded to two equivalent O(1) and four equivalent F(2) atoms to form ZnO2F4 octahedra that share corners with four equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles are 41°. O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one O(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnFeO2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.368
_cell_length_b   7.368
_cell_length_c   7.368
_cell_angle_alpha   133.982
_cell_angle_beta   117.836
_cell_angle_gamma   80.713
_symmetry_Int_Tables_number   1
_cell_volume   246.006
_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
  Zn  Zn0  1  0.500  0.500  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.535  0.952  0.417  1.0
  O  O5  1  0.465  0.048  0.583  1.0
  O  O6  1  0.035  0.617  0.583  1.0
  O  O7  1  0.965  0.383  0.417  1.0
  F  F8  1  0.750  0.383  0.633  1.0
  F  F9  1  0.250  0.617  0.367  1.0
  F  F10  1  0.444  0.596  0.788  1.0
  F  F11  1  0.193  0.404  0.848  1.0
  F  F12  1  0.944  0.156  0.848  1.0
  F  F13  1  0.693  0.844  0.788  1.0
  F  F14  1  0.556  0.404  0.212  1.0
  F  F15  1  0.807  0.596  0.152  1.0
  F  F16  1  0.056  0.844  0.152  1.0
  F  F17  1  0.307  0.156  0.212  1.0
[/CIF]
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