The material described by CuZnF4 crystallizes in the orthorhombic Ima2 space group. Cu(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(2) atoms. Zn(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent Zn(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_ZnCuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.232
_cell_length_b   6.232
_cell_length_c   6.232
_cell_angle_alpha   131.236
_cell_angle_beta   130.855
_cell_angle_gamma   71.741
_symmetry_Int_Tables_number   1
_cell_volume   134.655
_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  0.746  0.500  0.246  1.0
  Zn  Zn1  1  0.246  0.000  0.246  1.0
  Cu  Cu2  1  0.003  0.247  0.750  1.0
  Cu  Cu3  1  0.503  0.753  0.755  1.0
  F  F4  1  0.050  0.306  0.124  1.0
  F  F5  1  0.318  0.574  0.124  1.0
  F  F6  1  0.952  0.190  0.376  1.0
  F  F7  1  0.818  0.694  0.744  1.0
  F  F8  1  0.685  0.924  0.376  1.0
  F  F9  1  0.550  0.426  0.744  1.0
  F  F10  1  0.185  0.810  0.762  1.0
  F  F11  1  0.452  0.076  0.762  1.0
[/CIF]
.
The material described by CuZnF4 crystallizes in the orthorhombic Ima2 space group. Cu(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(2) atoms. Zn(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent Zn(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_ZnCuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.232
_cell_length_b   6.232
_cell_length_c   6.232
_cell_angle_alpha   131.236
_cell_angle_beta   130.855
_cell_angle_gamma   71.741
_symmetry_Int_Tables_number   1
_cell_volume   134.655
_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  0.746  0.500  0.246  1.0
  Zn  Zn1  1  0.246  0.000  0.246  1.0
  Cu  Cu2  1  0.003  0.247  0.750  1.0
  Cu  Cu3  1  0.503  0.753  0.755  1.0
  F  F4  1  0.050  0.306  0.124  1.0
  F  F5  1  0.318  0.574  0.124  1.0
  F  F6  1  0.952  0.190  0.376  1.0
  F  F7  1  0.818  0.694  0.744  1.0
  F  F8  1  0.685  0.924  0.376  1.0
  F  F9  1  0.550  0.426  0.744  1.0
  F  F10  1  0.185  0.810  0.762  1.0
  F  F11  1  0.452  0.076  0.762  1.0
[/CIF]
.