The crystal structure described by K2Zr2Cu(OF2)6 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one F(1), one F(2), one F(5), one F(6), and two equivalent F(3) atoms. Zr(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and two equivalent F(4) atoms to form edge-sharing ZrF7 pentagonal bipyramids. Cu(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one K(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cu(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cu(1) atom. There are six inequivalent F sites. In the first F site, F(4) is bonded in a bent 120 degrees geometry to two equivalent Zr(1) atoms. In the second F site, F(5) is bonded in a distorted water-like geometry to one K(1) and one Zr(1) atom. In the third F site, F(6) is bonded in a distorted bent 120 degrees geometry to one K(1) and one Zr(1) atom. In the fourth F site, F(1) is bonded in a distorted single-bond geometry to one K(1) and one Zr(1) atom. In the fifth F site, F(2) is bonded in a bent 120 degrees geometry to one K(1) and one Zr(1) atom. In the sixth F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Zr(1) atom. is represented by the CIF card [CIF]
data_K2Zr2Cu(OF2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.485
_cell_length_b   7.193
_cell_length_c   12.293
_cell_angle_alpha   63.957
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   753.552
_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
  K  K0  1  0.688  0.582  0.919  1.0
  K  K1  1  0.188  0.418  0.581  1.0
  K  K2  1  0.312  0.418  0.081  1.0
  K  K3  1  0.812  0.582  0.419  1.0
  Zr  Zr4  1  0.988  0.803  0.664  1.0
  Zr  Zr5  1  0.488  0.197  0.836  1.0
  Zr  Zr6  1  0.012  0.197  0.336  1.0
  Zr  Zr7  1  0.512  0.803  0.164  1.0
  Cu  Cu8  1  0.500  0.000  0.500  1.0
  Cu  Cu9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.603  0.764  0.547  1.0
  O  O11  1  0.103  0.236  0.953  1.0
  O  O12  1  0.397  0.236  0.453  1.0
  O  O13  1  0.897  0.764  0.047  1.0
  O  O14  1  0.873  0.033  0.881  1.0
  O  O15  1  0.373  0.967  0.619  1.0
  O  O16  1  0.127  0.967  0.119  1.0
  O  O17  1  0.627  0.033  0.381  1.0
  O  O18  1  0.656  0.083  0.594  1.0
  O  O19  1  0.156  0.917  0.906  1.0
  O  O20  1  0.344  0.917  0.406  1.0
  O  O21  1  0.844  0.083  0.094  1.0
  F  F22  1  0.526  0.951  0.797  1.0
  F  F23  1  0.026  0.049  0.703  1.0
  F  F24  1  0.474  0.049  0.203  1.0
  F  F25  1  0.974  0.951  0.297  1.0
  F  F26  1  0.953  0.621  0.841  1.0
  F  F27  1  0.453  0.379  0.659  1.0
  F  F28  1  0.047  0.379  0.159  1.0
  F  F29  1  0.547  0.621  0.341  1.0
  F  F30  1  0.943  0.596  0.599  1.0
  F  F31  1  0.443  0.404  0.901  1.0
  F  F32  1  0.057  0.404  0.401  1.0
  F  F33  1  0.557  0.596  0.099  1.0
  F  F34  1  0.879  0.035  0.500  1.0
  F  F35  1  0.379  0.965  1.000  1.0
  F  F36  1  0.121  0.965  0.500  1.0
  F  F37  1  0.621  0.035  0.000  1.0
  F  F38  1  0.680  0.326  0.795  1.0
  F  F39  1  0.180  0.674  0.705  1.0
  F  F40  1  0.320  0.674  0.205  1.0
  F  F41  1  0.820  0.326  0.295  1.0
  F  F42  1  0.758  0.811  0.695  1.0
  F  F43  1  0.258  0.189  0.805  1.0
  F  F44  1  0.242  0.189  0.305  1.0
  F  F45  1  0.742  0.811  0.195  1.0
[/CIF]
.
The crystal structure described by K2Zr2Cu(OF2)6 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one F(1), one F(2), one F(5), one F(6), and two equivalent F(3) atoms. Zr(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and two equivalent F(4) atoms to form edge-sharing ZrF7 pentagonal bipyramids. Cu(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one K(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cu(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cu(1) atom. There are six inequivalent F sites. In the first F site, F(4) is bonded in a bent 120 degrees geometry to two equivalent Zr(1) atoms. In the second F site, F(5) is bonded in a distorted water-like geometry to one K(1) and one Zr(1) atom. In the third F site, F(6) is bonded in a distorted bent 120 degrees geometry to one K(1) and one Zr(1) atom. In the fourth F site, F(1) is bonded in a distorted single-bond geometry to one K(1) and one Zr(1) atom. In the fifth F site, F(2) is bonded in a bent 120 degrees geometry to one K(1) and one Zr(1) atom. In the sixth F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Zr(1) atom. is represented by the CIF card [CIF]
data_K2Zr2Cu(OF2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.485
_cell_length_b   7.193
_cell_length_c   12.293
_cell_angle_alpha   63.957
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   753.552
_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
  K  K0  1  0.688  0.582  0.919  1.0
  K  K1  1  0.188  0.418  0.581  1.0
  K  K2  1  0.312  0.418  0.081  1.0
  K  K3  1  0.812  0.582  0.419  1.0
  Zr  Zr4  1  0.988  0.803  0.664  1.0
  Zr  Zr5  1  0.488  0.197  0.836  1.0
  Zr  Zr6  1  0.012  0.197  0.336  1.0
  Zr  Zr7  1  0.512  0.803  0.164  1.0
  Cu  Cu8  1  0.500  0.000  0.500  1.0
  Cu  Cu9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.603  0.764  0.547  1.0
  O  O11  1  0.103  0.236  0.953  1.0
  O  O12  1  0.397  0.236  0.453  1.0
  O  O13  1  0.897  0.764  0.047  1.0
  O  O14  1  0.873  0.033  0.881  1.0
  O  O15  1  0.373  0.967  0.619  1.0
  O  O16  1  0.127  0.967  0.119  1.0
  O  O17  1  0.627  0.033  0.381  1.0
  O  O18  1  0.656  0.083  0.594  1.0
  O  O19  1  0.156  0.917  0.906  1.0
  O  O20  1  0.344  0.917  0.406  1.0
  O  O21  1  0.844  0.083  0.094  1.0
  F  F22  1  0.526  0.951  0.797  1.0
  F  F23  1  0.026  0.049  0.703  1.0
  F  F24  1  0.474  0.049  0.203  1.0
  F  F25  1  0.974  0.951  0.297  1.0
  F  F26  1  0.953  0.621  0.841  1.0
  F  F27  1  0.453  0.379  0.659  1.0
  F  F28  1  0.047  0.379  0.159  1.0
  F  F29  1  0.547  0.621  0.341  1.0
  F  F30  1  0.943  0.596  0.599  1.0
  F  F31  1  0.443  0.404  0.901  1.0
  F  F32  1  0.057  0.404  0.401  1.0
  F  F33  1  0.557  0.596  0.099  1.0
  F  F34  1  0.879  0.035  0.500  1.0
  F  F35  1  0.379  0.965  1.000  1.0
  F  F36  1  0.121  0.965  0.500  1.0
  F  F37  1  0.621  0.035  0.000  1.0
  F  F38  1  0.680  0.326  0.795  1.0
  F  F39  1  0.180  0.674  0.705  1.0
  F  F40  1  0.320  0.674  0.205  1.0
  F  F41  1  0.820  0.326  0.295  1.0
  F  F42  1  0.758  0.811  0.695  1.0
  F  F43  1  0.258  0.189  0.805  1.0
  F  F44  1  0.242  0.189  0.305  1.0
  F  F45  1  0.742  0.811  0.195  1.0
[/CIF]
.