The crystal structure described by Na2V2CuH4(OF)6 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one F(2), one F(3), and two equivalent F(1) atoms. 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 two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Cu(1), one H(1), and one H(2) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one V(1) atom. In the second F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one V(1) atom. In the third F site, F(1) is bonded to two equivalent Na(1) and two equivalent V(1) atoms to form edge-sharing FNa2V2 trigonal pyramids. is represented by the CIF file [CIF]
data_Na2V2CuH4(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.366
_cell_length_b   8.315
_cell_length_c   10.436
_cell_angle_alpha   89.635
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   465.620
_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
  Na  Na0  1  0.550  0.549  0.337  1.0
  Na  Na1  1  0.050  0.451  0.163  1.0
  Na  Na2  1  0.450  0.451  0.663  1.0
  Na  Na3  1  0.950  0.549  0.837  1.0
  V  V4  1  0.951  0.289  0.504  1.0
  V  V5  1  0.451  0.711  0.996  1.0
  V  V6  1  0.049  0.711  0.496  1.0
  V  V7  1  0.549  0.289  0.004  1.0
  Cu  Cu8  1  0.500  0.000  0.500  1.0
  Cu  Cu9  1  0.000  0.000  0.000  1.0
  H  H10  1  0.558  0.156  0.287  1.0
  H  H11  1  0.058  0.844  0.213  1.0
  H  H12  1  0.442  0.844  0.713  1.0
  H  H13  1  0.942  0.156  0.787  1.0
  H  H14  1  0.442  0.989  0.261  1.0
  H  H15  1  0.942  0.011  0.239  1.0
  H  H16  1  0.558  0.011  0.739  1.0
  H  H17  1  0.058  0.989  0.761  1.0
  O  O18  1  0.141  0.142  0.466  1.0
  O  O19  1  0.641  0.858  0.034  1.0
  O  O20  1  0.859  0.858  0.534  1.0
  O  O21  1  0.359  0.142  0.966  1.0
  O  O22  1  0.673  0.199  0.545  1.0
  O  O23  1  0.173  0.801  0.955  1.0
  O  O24  1  0.327  0.801  0.455  1.0
  O  O25  1  0.827  0.199  0.045  1.0
  O  O26  1  0.580  0.041  0.308  1.0
  O  O27  1  0.080  0.959  0.192  1.0
  O  O28  1  0.420  0.959  0.692  1.0
  O  O29  1  0.920  0.041  0.808  1.0
  F  F30  1  0.220  0.472  0.465  1.0
  F  F31  1  0.720  0.528  0.035  1.0
  F  F32  1  0.780  0.528  0.535  1.0
  F  F33  1  0.280  0.472  0.965  1.0
  F  F34  1  0.064  0.320  0.676  1.0
  F  F35  1  0.564  0.680  0.824  1.0
  F  F36  1  0.936  0.680  0.324  1.0
  F  F37  1  0.436  0.320  0.176  1.0
  F  F38  1  0.851  0.340  0.334  1.0
  F  F39  1  0.351  0.660  0.166  1.0
  F  F40  1  0.149  0.660  0.666  1.0
  F  F41  1  0.649  0.340  0.834  1.0
[/CIF]
.
The crystal structure described by Na2V2CuH4(OF)6 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one F(2), one F(3), and two equivalent F(1) atoms. 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 two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Cu(1), one H(1), and one H(2) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one V(1) atom. In the second F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one V(1) atom. In the third F site, F(1) is bonded to two equivalent Na(1) and two equivalent V(1) atoms to form edge-sharing FNa2V2 trigonal pyramids. is represented by the CIF file [CIF]
data_Na2V2CuH4(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.366
_cell_length_b   8.315
_cell_length_c   10.436
_cell_angle_alpha   89.635
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   465.620
_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
  Na  Na0  1  0.550  0.549  0.337  1.0
  Na  Na1  1  0.050  0.451  0.163  1.0
  Na  Na2  1  0.450  0.451  0.663  1.0
  Na  Na3  1  0.950  0.549  0.837  1.0
  V  V4  1  0.951  0.289  0.504  1.0
  V  V5  1  0.451  0.711  0.996  1.0
  V  V6  1  0.049  0.711  0.496  1.0
  V  V7  1  0.549  0.289  0.004  1.0
  Cu  Cu8  1  0.500  0.000  0.500  1.0
  Cu  Cu9  1  0.000  0.000  0.000  1.0
  H  H10  1  0.558  0.156  0.287  1.0
  H  H11  1  0.058  0.844  0.213  1.0
  H  H12  1  0.442  0.844  0.713  1.0
  H  H13  1  0.942  0.156  0.787  1.0
  H  H14  1  0.442  0.989  0.261  1.0
  H  H15  1  0.942  0.011  0.239  1.0
  H  H16  1  0.558  0.011  0.739  1.0
  H  H17  1  0.058  0.989  0.761  1.0
  O  O18  1  0.141  0.142  0.466  1.0
  O  O19  1  0.641  0.858  0.034  1.0
  O  O20  1  0.859  0.858  0.534  1.0
  O  O21  1  0.359  0.142  0.966  1.0
  O  O22  1  0.673  0.199  0.545  1.0
  O  O23  1  0.173  0.801  0.955  1.0
  O  O24  1  0.327  0.801  0.455  1.0
  O  O25  1  0.827  0.199  0.045  1.0
  O  O26  1  0.580  0.041  0.308  1.0
  O  O27  1  0.080  0.959  0.192  1.0
  O  O28  1  0.420  0.959  0.692  1.0
  O  O29  1  0.920  0.041  0.808  1.0
  F  F30  1  0.220  0.472  0.465  1.0
  F  F31  1  0.720  0.528  0.035  1.0
  F  F32  1  0.780  0.528  0.535  1.0
  F  F33  1  0.280  0.472  0.965  1.0
  F  F34  1  0.064  0.320  0.676  1.0
  F  F35  1  0.564  0.680  0.824  1.0
  F  F36  1  0.936  0.680  0.324  1.0
  F  F37  1  0.436  0.320  0.176  1.0
  F  F38  1  0.851  0.340  0.334  1.0
  F  F39  1  0.351  0.660  0.166  1.0
  F  F40  1  0.149  0.660  0.666  1.0
  F  F41  1  0.649  0.340  0.834  1.0
[/CIF]
.