The material structure described by ZrCu2(O3F2)4 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four ZrCu2(O3F2)4 clusters. Zr(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form distorted ZrF6 pentagonal pyramids that share corners with two equivalent Cu(1)O4F trigonal bipyramids. Cu(1) is bonded to one O(1), one O(2), one O(5), one O(6), and one F(1) atom to form distorted CuO4F trigonal bipyramids that share  a cornercorner with one Zr(1)F6 pentagonal pyramid. There are six inequivalent O sites. In the first O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(4) atom. In the second O site, O(1) is bonded in a water-like geometry to one Cu(1) and one F(3) atom. In the third O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(4) atom. In the fourth O site, O(3) is bonded in a single-bond geometry to one O(5) atom. In the fifth O site, O(4) is bonded in a bent 120 degrees geometry to one O(2) and one O(6) atom. In the sixth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(3) atom. There are four inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one Zr(1) atom. In the second F site, F(3) is bonded in a single-bond geometry to one O(1) atom. In the third F site, F(4) is bonded in a single-bond geometry to one Zr(1) atom. In the fourth F site, F(1) is bonded in a bent 120 degrees geometry to one Zr(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCu2(O3F2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.597
_cell_length_b   8.597
_cell_length_c   12.168
_cell_angle_alpha   70.269
_cell_angle_beta   70.269
_cell_angle_gamma   54.794
_symmetry_Int_Tables_number   1
_cell_volume   679.710
_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
  Zr  Zr0  1  0.266  0.734  0.250  1.0
  Zr  Zr1  1  0.734  0.266  0.750  1.0
  Cu  Cu2  1  0.955  0.269  0.238  1.0
  Cu  Cu3  1  0.731  0.045  0.262  1.0
  Cu  Cu4  1  0.045  0.731  0.762  1.0
  Cu  Cu5  1  0.269  0.955  0.738  1.0
  O  O6  1  0.155  0.279  0.117  1.0
  O  O7  1  0.721  0.845  0.383  1.0
  O  O8  1  0.845  0.721  0.883  1.0
  O  O9  1  0.279  0.155  0.617  1.0
  O  O10  1  0.721  0.361  0.356  1.0
  O  O11  1  0.639  0.279  0.144  1.0
  O  O12  1  0.279  0.639  0.644  1.0
  O  O13  1  0.361  0.721  0.856  1.0
  O  O14  1  0.855  0.736  0.128  1.0
  O  O15  1  0.264  0.145  0.372  1.0
  O  O16  1  0.145  0.264  0.872  1.0
  O  O17  1  0.736  0.855  0.628  1.0
  O  O18  1  0.667  0.248  0.440  1.0
  O  O19  1  0.752  0.333  0.060  1.0
  O  O20  1  0.333  0.752  0.560  1.0
  O  O21  1  0.248  0.667  0.940  1.0
  O  O22  1  0.100  0.279  0.360  1.0
  O  O23  1  0.721  0.900  0.140  1.0
  O  O24  1  0.900  0.721  0.640  1.0
  O  O25  1  0.279  0.100  0.860  1.0
  O  O26  1  0.838  0.395  0.092  1.0
  O  O27  1  0.605  0.162  0.408  1.0
  O  O28  1  0.162  0.605  0.908  1.0
  O  O29  1  0.395  0.838  0.592  1.0
  F  F30  1  0.003  0.932  0.171  1.0
  F  F31  1  0.068  0.997  0.329  1.0
  F  F32  1  0.997  0.068  0.829  1.0
  F  F33  1  0.932  0.003  0.671  1.0
  F  F34  1  0.275  0.566  0.410  1.0
  F  F35  1  0.434  0.725  0.090  1.0
  F  F36  1  0.725  0.434  0.590  1.0
  F  F37  1  0.566  0.275  0.910  1.0
  F  F38  1  0.901  0.669  0.371  1.0
  F  F39  1  0.331  0.099  0.129  1.0
  F  F40  1  0.099  0.331  0.629  1.0
  F  F41  1  0.669  0.901  0.871  1.0
  F  F42  1  0.257  0.530  0.211  1.0
  F  F43  1  0.470  0.743  0.289  1.0
  F  F44  1  0.743  0.470  0.789  1.0
  F  F45  1  0.530  0.257  0.711  1.0
[/CIF]
.
The material structure described by ZrCu2(O3F2)4 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four ZrCu2(O3F2)4 clusters. Zr(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form distorted ZrF6 pentagonal pyramids that share corners with two equivalent Cu(1)O4F trigonal bipyramids. Cu(1) is bonded to one O(1), one O(2), one O(5), one O(6), and one F(1) atom to form distorted CuO4F trigonal bipyramids that share  a cornercorner with one Zr(1)F6 pentagonal pyramid. There are six inequivalent O sites. In the first O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(4) atom. In the second O site, O(1) is bonded in a water-like geometry to one Cu(1) and one F(3) atom. In the third O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(4) atom. In the fourth O site, O(3) is bonded in a single-bond geometry to one O(5) atom. In the fifth O site, O(4) is bonded in a bent 120 degrees geometry to one O(2) and one O(6) atom. In the sixth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(3) atom. There are four inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one Zr(1) atom. In the second F site, F(3) is bonded in a single-bond geometry to one O(1) atom. In the third F site, F(4) is bonded in a single-bond geometry to one Zr(1) atom. In the fourth F site, F(1) is bonded in a bent 120 degrees geometry to one Zr(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrCu2(O3F2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.597
_cell_length_b   8.597
_cell_length_c   12.168
_cell_angle_alpha   70.269
_cell_angle_beta   70.269
_cell_angle_gamma   54.794
_symmetry_Int_Tables_number   1
_cell_volume   679.710
_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
  Zr  Zr0  1  0.266  0.734  0.250  1.0
  Zr  Zr1  1  0.734  0.266  0.750  1.0
  Cu  Cu2  1  0.955  0.269  0.238  1.0
  Cu  Cu3  1  0.731  0.045  0.262  1.0
  Cu  Cu4  1  0.045  0.731  0.762  1.0
  Cu  Cu5  1  0.269  0.955  0.738  1.0
  O  O6  1  0.155  0.279  0.117  1.0
  O  O7  1  0.721  0.845  0.383  1.0
  O  O8  1  0.845  0.721  0.883  1.0
  O  O9  1  0.279  0.155  0.617  1.0
  O  O10  1  0.721  0.361  0.356  1.0
  O  O11  1  0.639  0.279  0.144  1.0
  O  O12  1  0.279  0.639  0.644  1.0
  O  O13  1  0.361  0.721  0.856  1.0
  O  O14  1  0.855  0.736  0.128  1.0
  O  O15  1  0.264  0.145  0.372  1.0
  O  O16  1  0.145  0.264  0.872  1.0
  O  O17  1  0.736  0.855  0.628  1.0
  O  O18  1  0.667  0.248  0.440  1.0
  O  O19  1  0.752  0.333  0.060  1.0
  O  O20  1  0.333  0.752  0.560  1.0
  O  O21  1  0.248  0.667  0.940  1.0
  O  O22  1  0.100  0.279  0.360  1.0
  O  O23  1  0.721  0.900  0.140  1.0
  O  O24  1  0.900  0.721  0.640  1.0
  O  O25  1  0.279  0.100  0.860  1.0
  O  O26  1  0.838  0.395  0.092  1.0
  O  O27  1  0.605  0.162  0.408  1.0
  O  O28  1  0.162  0.605  0.908  1.0
  O  O29  1  0.395  0.838  0.592  1.0
  F  F30  1  0.003  0.932  0.171  1.0
  F  F31  1  0.068  0.997  0.329  1.0
  F  F32  1  0.997  0.068  0.829  1.0
  F  F33  1  0.932  0.003  0.671  1.0
  F  F34  1  0.275  0.566  0.410  1.0
  F  F35  1  0.434  0.725  0.090  1.0
  F  F36  1  0.725  0.434  0.590  1.0
  F  F37  1  0.566  0.275  0.910  1.0
  F  F38  1  0.901  0.669  0.371  1.0
  F  F39  1  0.331  0.099  0.129  1.0
  F  F40  1  0.099  0.331  0.629  1.0
  F  F41  1  0.669  0.901  0.871  1.0
  F  F42  1  0.257  0.530  0.211  1.0
  F  F43  1  0.470  0.743  0.289  1.0
  F  F44  1  0.743  0.470  0.789  1.0
  F  F45  1  0.530  0.257  0.711  1.0
[/CIF]
.