The material structure described by CrZnF5 crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles are 36°. Zn(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent F(2) and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cr(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Cr(1) and one Zn(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_ZnCrF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.335
_cell_length_b   5.335
_cell_length_c   7.484
_cell_angle_alpha   69.461
_cell_angle_beta   69.461
_cell_angle_gamma   73.094
_symmetry_Int_Tables_number   1
_cell_volume   183.326
_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  0.518  0.482  0.750  1.0
  Zn  Zn1  1  0.482  0.518  0.250  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  F  F4  1  0.096  0.904  0.250  1.0
  F  F5  1  0.904  0.096  0.750  1.0
  F  F6  1  0.220  0.280  0.369  1.0
  F  F7  1  0.720  0.780  0.131  1.0
  F  F8  1  0.713  0.314  0.037  1.0
  F  F9  1  0.686  0.287  0.463  1.0
  F  F10  1  0.287  0.686  0.963  1.0
  F  F11  1  0.314  0.713  0.537  1.0
  F  F12  1  0.280  0.220  0.869  1.0
  F  F13  1  0.780  0.720  0.631  1.0
[/CIF]
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The material structure described by CrZnF5 crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles are 36°. Zn(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent F(2) and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cr(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Cr(1) and one Zn(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_ZnCrF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.335
_cell_length_b   5.335
_cell_length_c   7.484
_cell_angle_alpha   69.461
_cell_angle_beta   69.461
_cell_angle_gamma   73.094
_symmetry_Int_Tables_number   1
_cell_volume   183.326
_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  0.518  0.482  0.750  1.0
  Zn  Zn1  1  0.482  0.518  0.250  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  F  F4  1  0.096  0.904  0.250  1.0
  F  F5  1  0.904  0.096  0.750  1.0
  F  F6  1  0.220  0.280  0.369  1.0
  F  F7  1  0.720  0.780  0.131  1.0
  F  F8  1  0.713  0.314  0.037  1.0
  F  F9  1  0.686  0.287  0.463  1.0
  F  F10  1  0.287  0.686  0.963  1.0
  F  F11  1  0.314  0.713  0.537  1.0
  F  F12  1  0.280  0.220  0.869  1.0
  F  F13  1  0.780  0.720  0.631  1.0
[/CIF]
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