The material described by CuF4ClF6 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ClF6 clusters and two CuF4 clusters. In each ClF6 cluster, Cl(1) is bonded in an octahedral geometry to two equivalent F(3) and four equivalent F(1,2) atoms. There are two inequivalent F sites. In the first F site, F(1,2) is bonded in a single-bond geometry to one Cl(1) atom. In the second F site, F(3) is bonded in a single-bond geometry to one Cl(1) atom. In each CuF4 cluster, Cu(1) is bonded in a square co-planar geometry to two equivalent F(4) and two equivalent F(5) atoms. There are two inequivalent F sites. In the first F site, F(4) is bonded in a single-bond geometry to one Cu(1) atom. In the second F site, F(5) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the CIF card [CIF]
data_CuClF10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.737
_cell_length_b   4.869
_cell_length_c   7.530
_cell_angle_alpha   80.211
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.650
_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
  Cu  Cu0  1  0.000  0.000  0.500  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Cl  Cl2  1  0.000  0.500  0.000  1.0
  Cl  Cl3  1  0.500  0.000  0.000  1.0
  F  F4  1  0.108  0.399  0.844  1.0
  F  F5  1  0.608  0.101  0.156  1.0
  F  F6  1  0.892  0.601  0.156  1.0
  F  F7  1  0.392  0.899  0.844  1.0
  F  F8  1  0.102  0.788  0.986  1.0
  F  F9  1  0.602  0.712  0.014  1.0
  F  F10  1  0.898  0.212  0.014  1.0
  F  F11  1  0.398  0.288  0.986  1.0
  F  F12  1  0.117  0.341  0.159  1.0
  F  F13  1  0.617  0.159  0.841  1.0
  F  F14  1  0.883  0.659  0.841  1.0
  F  F15  1  0.383  0.841  0.159  1.0
  F  F16  1  0.112  0.798  0.380  1.0
  F  F17  1  0.612  0.702  0.620  1.0
  F  F18  1  0.888  0.202  0.620  1.0
  F  F19  1  0.388  0.298  0.380  1.0
  F  F20  1  0.157  0.053  0.630  1.0
  F  F21  1  0.657  0.447  0.370  1.0
  F  F22  1  0.843  0.947  0.370  1.0
  F  F23  1  0.343  0.553  0.630  1.0
[/CIF]
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The material described by CuF4ClF6 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ClF6 clusters and two CuF4 clusters. In each ClF6 cluster, Cl(1) is bonded in an octahedral geometry to two equivalent F(3) and four equivalent F(1,2) atoms. There are two inequivalent F sites. In the first F site, F(1,2) is bonded in a single-bond geometry to one Cl(1) atom. In the second F site, F(3) is bonded in a single-bond geometry to one Cl(1) atom. In each CuF4 cluster, Cu(1) is bonded in a square co-planar geometry to two equivalent F(4) and two equivalent F(5) atoms. There are two inequivalent F sites. In the first F site, F(4) is bonded in a single-bond geometry to one Cu(1) atom. In the second F site, F(5) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the CIF card [CIF]
data_CuClF10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.737
_cell_length_b   4.869
_cell_length_c   7.530
_cell_angle_alpha   80.211
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.650
_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
  Cu  Cu0  1  0.000  0.000  0.500  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Cl  Cl2  1  0.000  0.500  0.000  1.0
  Cl  Cl3  1  0.500  0.000  0.000  1.0
  F  F4  1  0.108  0.399  0.844  1.0
  F  F5  1  0.608  0.101  0.156  1.0
  F  F6  1  0.892  0.601  0.156  1.0
  F  F7  1  0.392  0.899  0.844  1.0
  F  F8  1  0.102  0.788  0.986  1.0
  F  F9  1  0.602  0.712  0.014  1.0
  F  F10  1  0.898  0.212  0.014  1.0
  F  F11  1  0.398  0.288  0.986  1.0
  F  F12  1  0.117  0.341  0.159  1.0
  F  F13  1  0.617  0.159  0.841  1.0
  F  F14  1  0.883  0.659  0.841  1.0
  F  F15  1  0.383  0.841  0.159  1.0
  F  F16  1  0.112  0.798  0.380  1.0
  F  F17  1  0.612  0.702  0.620  1.0
  F  F18  1  0.888  0.202  0.620  1.0
  F  F19  1  0.388  0.298  0.380  1.0
  F  F20  1  0.157  0.053  0.630  1.0
  F  F21  1  0.657  0.447  0.370  1.0
  F  F22  1  0.843  0.947  0.370  1.0
  F  F23  1  0.343  0.553  0.630  1.0
[/CIF]
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