The crystal structure described by CuZnF4 crystallizes in the triclinic P1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one F(1), one F(2), one F(3), and one F(5) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one F(4), one F(6), one F(7), and one F(8) atom. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. In the second Zn site, Zn(2) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one Zn(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one Zn(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one Zn(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Cu(2), one Zn(1), and one Zn(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one Zn(2) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Cu(2), one Zn(1), and one Zn(2) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Cu(2), one Zn(1), and one Zn(2) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Cu(2), one Zn(1), and one Zn(2) atom. is represented by the CIF file [CIF]
data_ZnCuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.183
_cell_length_b   5.145
_cell_length_c   6.241
_cell_angle_alpha   114.311
_cell_angle_beta   114.776
_cell_angle_gamma   90.021
_symmetry_Int_Tables_number   1
_cell_volume   134.653
_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  0.255  0.250  0.501  1.0
  Zn  Zn1  1  0.753  0.747  0.500  1.0
  Cu  Cu2  1  0.998  0.502  0.999  1.0
  Cu  Cu3  1  0.498  0.999  0.001  1.0
  F  F4  1  0.950  0.443  0.266  1.0
  F  F5  1  0.681  0.176  0.730  1.0
  F  F6  1  0.048  0.559  0.732  1.0
  F  F7  1  0.181  0.057  0.734  1.0
  F  F8  1  0.322  0.818  0.269  1.0
  F  F9  1  0.453  0.321  0.273  1.0
  F  F10  1  0.821  0.945  0.270  1.0
  F  F11  1  0.549  0.676  0.734  1.0
[/CIF]
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The crystal structure described by CuZnF4 crystallizes in the triclinic P1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one F(1), one F(2), one F(3), and one F(5) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one F(4), one F(6), one F(7), and one F(8) atom. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. In the second Zn site, Zn(2) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one Zn(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one Zn(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one Zn(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Cu(2), one Zn(1), and one Zn(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one Zn(2) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Cu(2), one Zn(1), and one Zn(2) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Cu(2), one Zn(1), and one Zn(2) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Cu(2), one Zn(1), and one Zn(2) atom. is represented by the CIF file [CIF]
data_ZnCuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.183
_cell_length_b   5.145
_cell_length_c   6.241
_cell_angle_alpha   114.311
_cell_angle_beta   114.776
_cell_angle_gamma   90.021
_symmetry_Int_Tables_number   1
_cell_volume   134.653
_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  0.255  0.250  0.501  1.0
  Zn  Zn1  1  0.753  0.747  0.500  1.0
  Cu  Cu2  1  0.998  0.502  0.999  1.0
  Cu  Cu3  1  0.498  0.999  0.001  1.0
  F  F4  1  0.950  0.443  0.266  1.0
  F  F5  1  0.681  0.176  0.730  1.0
  F  F6  1  0.048  0.559  0.732  1.0
  F  F7  1  0.181  0.057  0.734  1.0
  F  F8  1  0.322  0.818  0.269  1.0
  F  F9  1  0.453  0.321  0.273  1.0
  F  F10  1  0.821  0.945  0.270  1.0
  F  F11  1  0.549  0.676  0.734  1.0
[/CIF]
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