The crystal structure described by Na2CuCrF7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms to form distorted NaF6 octahedra that share corners with two equivalent Cr(1)F6 octahedra, corners with two equivalent Cu(1)F6 octahedra, edges with two equivalent Na(1)F6 octahedra, and edges with two equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 63-72°. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms. Cr(1) is bonded to one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms to form CrF6 octahedra that share corners with two equivalent Na(1)F6 octahedra, corners with four equivalent Cu(1)F6 octahedra, and edges with two equivalent Na(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. Cu(1) is bonded to two equivalent F(1), two equivalent F(4), and two equivalent F(5) atoms to form CuF6 octahedra that share corners with two equivalent Na(1)F6 octahedra, corners with two equivalent Cu(1)F6 octahedra, and corners with four equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-72°. There are five inequivalent F sites. In the first F site, F(5) is bonded to one Na(1), one Na(2), one Cr(1), and one Cu(1) atom to form distorted FNa2CrCu tetrahedra that share corners with two equivalent F(3)Na3Cr tetrahedra, corners with four equivalent F(5)Na2CrCu tetrahedra, and  an edgeedge with one F(3)Na3Cr tetrahedra. In the second F site, F(1) is bonded in a 2-coordinate geometry to one Na(2) and two equivalent Cu(1) atoms. In the third F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), two equivalent Na(1), and one Cr(1) atom. In the fourth F site, F(3) is bonded to one Na(2), two equivalent Na(1), and one Cr(1) atom to form distorted FNa3Cr tetrahedra that share corners with two equivalent F(3)Na3Cr tetrahedra, corners with four equivalent F(5)Na2CrCu tetrahedra, and edges with two equivalent F(5)Na2CrCu tetrahedra. In the fifth F site, F(4) is bonded in a 3-coordinate geometry to one Na(2), one Cr(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2CrCuF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.202
_cell_length_b   7.644
_cell_length_c   10.490
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   577.442
_cell_formula_units_Z   4
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  0.000  0.500  0.000  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Na  Na2  1  0.000  0.000  0.500  1.0
  Na  Na3  1  0.500  0.000  0.500  1.0
  Na  Na4  1  0.250  0.226  0.753  1.0
  Na  Na5  1  0.750  0.774  0.247  1.0
  Na  Na6  1  0.750  0.726  0.747  1.0
  Na  Na7  1  0.250  0.274  0.253  1.0
  Cr  Cr8  1  0.250  0.723  0.758  1.0
  Cr  Cr9  1  0.750  0.277  0.242  1.0
  Cr  Cr10  1  0.750  0.223  0.742  1.0
  Cr  Cr11  1  0.250  0.777  0.258  1.0
  Cu  Cu12  1  0.000  0.000  0.000  1.0
  Cu  Cu13  1  0.500  0.000  0.000  1.0
  Cu  Cu14  1  0.000  0.500  0.500  1.0
  Cu  Cu15  1  0.500  0.500  0.500  1.0
  F  F16  1  0.250  0.094  0.994  1.0
  F  F17  1  0.750  0.906  0.006  1.0
  F  F18  1  0.750  0.594  0.506  1.0
  F  F19  1  0.250  0.406  0.494  1.0
  F  F20  1  0.250  0.950  0.670  1.0
  F  F21  1  0.750  0.050  0.330  1.0
  F  F22  1  0.750  0.450  0.830  1.0
  F  F23  1  0.250  0.550  0.170  1.0
  F  F24  1  0.250  0.493  0.844  1.0
  F  F25  1  0.750  0.507  0.156  1.0
  F  F26  1  0.750  0.993  0.656  1.0
  F  F27  1  0.250  0.007  0.344  1.0
  F  F28  1  0.952  0.159  0.859  1.0
  F  F29  1  0.452  0.841  0.141  1.0
  F  F30  1  0.048  0.659  0.641  1.0
  F  F31  1  0.548  0.341  0.359  1.0
  F  F32  1  0.048  0.841  0.141  1.0
  F  F33  1  0.548  0.159  0.859  1.0
  F  F34  1  0.952  0.341  0.359  1.0
  F  F35  1  0.452  0.659  0.641  1.0
  F  F36  1  0.048  0.776  0.873  1.0
  F  F37  1  0.548  0.224  0.127  1.0
  F  F38  1  0.952  0.276  0.627  1.0
  F  F39  1  0.452  0.724  0.373  1.0
  F  F40  1  0.952  0.224  0.127  1.0
  F  F41  1  0.452  0.776  0.873  1.0
  F  F42  1  0.048  0.724  0.373  1.0
  F  F43  1  0.548  0.276  0.627  1.0
[/CIF]
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The crystal structure described by Na2CuCrF7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms to form distorted NaF6 octahedra that share corners with two equivalent Cr(1)F6 octahedra, corners with two equivalent Cu(1)F6 octahedra, edges with two equivalent Na(1)F6 octahedra, and edges with two equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 63-72°. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms. Cr(1) is bonded to one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms to form CrF6 octahedra that share corners with two equivalent Na(1)F6 octahedra, corners with four equivalent Cu(1)F6 octahedra, and edges with two equivalent Na(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. Cu(1) is bonded to two equivalent F(1), two equivalent F(4), and two equivalent F(5) atoms to form CuF6 octahedra that share corners with two equivalent Na(1)F6 octahedra, corners with two equivalent Cu(1)F6 octahedra, and corners with four equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-72°. There are five inequivalent F sites. In the first F site, F(5) is bonded to one Na(1), one Na(2), one Cr(1), and one Cu(1) atom to form distorted FNa2CrCu tetrahedra that share corners with two equivalent F(3)Na3Cr tetrahedra, corners with four equivalent F(5)Na2CrCu tetrahedra, and  an edgeedge with one F(3)Na3Cr tetrahedra. In the second F site, F(1) is bonded in a 2-coordinate geometry to one Na(2) and two equivalent Cu(1) atoms. In the third F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), two equivalent Na(1), and one Cr(1) atom. In the fourth F site, F(3) is bonded to one Na(2), two equivalent Na(1), and one Cr(1) atom to form distorted FNa3Cr tetrahedra that share corners with two equivalent F(3)Na3Cr tetrahedra, corners with four equivalent F(5)Na2CrCu tetrahedra, and edges with two equivalent F(5)Na2CrCu tetrahedra. In the fifth F site, F(4) is bonded in a 3-coordinate geometry to one Na(2), one Cr(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2CrCuF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.202
_cell_length_b   7.644
_cell_length_c   10.490
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   577.442
_cell_formula_units_Z   4
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  0.000  0.500  0.000  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Na  Na2  1  0.000  0.000  0.500  1.0
  Na  Na3  1  0.500  0.000  0.500  1.0
  Na  Na4  1  0.250  0.226  0.753  1.0
  Na  Na5  1  0.750  0.774  0.247  1.0
  Na  Na6  1  0.750  0.726  0.747  1.0
  Na  Na7  1  0.250  0.274  0.253  1.0
  Cr  Cr8  1  0.250  0.723  0.758  1.0
  Cr  Cr9  1  0.750  0.277  0.242  1.0
  Cr  Cr10  1  0.750  0.223  0.742  1.0
  Cr  Cr11  1  0.250  0.777  0.258  1.0
  Cu  Cu12  1  0.000  0.000  0.000  1.0
  Cu  Cu13  1  0.500  0.000  0.000  1.0
  Cu  Cu14  1  0.000  0.500  0.500  1.0
  Cu  Cu15  1  0.500  0.500  0.500  1.0
  F  F16  1  0.250  0.094  0.994  1.0
  F  F17  1  0.750  0.906  0.006  1.0
  F  F18  1  0.750  0.594  0.506  1.0
  F  F19  1  0.250  0.406  0.494  1.0
  F  F20  1  0.250  0.950  0.670  1.0
  F  F21  1  0.750  0.050  0.330  1.0
  F  F22  1  0.750  0.450  0.830  1.0
  F  F23  1  0.250  0.550  0.170  1.0
  F  F24  1  0.250  0.493  0.844  1.0
  F  F25  1  0.750  0.507  0.156  1.0
  F  F26  1  0.750  0.993  0.656  1.0
  F  F27  1  0.250  0.007  0.344  1.0
  F  F28  1  0.952  0.159  0.859  1.0
  F  F29  1  0.452  0.841  0.141  1.0
  F  F30  1  0.048  0.659  0.641  1.0
  F  F31  1  0.548  0.341  0.359  1.0
  F  F32  1  0.048  0.841  0.141  1.0
  F  F33  1  0.548  0.159  0.859  1.0
  F  F34  1  0.952  0.341  0.359  1.0
  F  F35  1  0.452  0.659  0.641  1.0
  F  F36  1  0.048  0.776  0.873  1.0
  F  F37  1  0.548  0.224  0.127  1.0
  F  F38  1  0.952  0.276  0.627  1.0
  F  F39  1  0.452  0.724  0.373  1.0
  F  F40  1  0.952  0.224  0.127  1.0
  F  F41  1  0.452  0.776  0.873  1.0
  F  F42  1  0.048  0.724  0.373  1.0
  F  F43  1  0.548  0.276  0.627  1.0
[/CIF]
.