The crystal structure described by Na2CuGaF7 crystallizes in the monoclinic C2/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(6), one F(7), two equivalent F(3), and two equivalent F(4) atoms. In the second Na site, Na(2) is bonded in a distorted body-centered cubic geometry to two equivalent F(1), two equivalent F(3), two equivalent F(5), and two equivalent F(7) atoms. In the third Na site, Na(3) is bonded to two equivalent F(2), two equivalent F(5), two equivalent F(6), and two equivalent F(7) atoms to form distorted NaF8 hexagonal bipyramids that share corners with two equivalent Ga(1)F6 octahedra, edges with two equivalent Cu(1)F6 octahedra, edges with two equivalent Cu(2)F6 octahedra, and edges with two equivalent Ga(2)F6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(5) atoms to form CuF6 octahedra that share corners with two equivalent Cu(2)F6 octahedra, corners with two equivalent Ga(1)F6 octahedra, corners with two equivalent Ga(2)F6 octahedra, and edges with two equivalent Na(3)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 42-48°. In the second Cu site, Cu(2) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(6) atoms to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with two equivalent Ga(1)F6 octahedra, corners with two equivalent Ga(2)F6 octahedra, and edges with two equivalent Na(3)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 39-48°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent F(1), two equivalent F(4), and two equivalent F(7) atoms to form GaF6 octahedra that share corners with two equivalent Na(3)F8 hexagonal bipyramids, corners with two equivalent Cu(1)F6 octahedra, and corners with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 39-48°. In the second Ga site, Ga(2) is bonded to two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms to form GaF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with two equivalent Cu(2)F6 octahedra, and edges with two equivalent Na(3)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 42-48°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Cu(1), and one Ga(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Na(1), one Na(3), one Cu(1), and one Cu(2) atom. In the third F site, F(3) is bonded to one Na(2), two equivalent Na(1), and one Ga(2) atom to form a mixture of distorted corner and edge-sharing FNa3Ga tetrahedra. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Cu(2), and one Ga(1) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Cu(1), and one Ga(2) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Cu(2), and one Ga(2) atom. In the seventh F site, F(7) is bonded to one Na(1), one Na(2), one Na(3), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing FNa3Ga tetrahedra. is represented by the CIF file [CIF]
data_Na2GaCuF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.298
_cell_length_b   7.298
_cell_length_c   13.004
_cell_angle_alpha   73.029
_cell_angle_beta   73.029
_cell_angle_gamma   61.137
_symmetry_Int_Tables_number   1
_cell_volume   570.565
_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  0.281  0.214  0.247  1.0
  Na  Na1  1  0.214  0.281  0.747  1.0
  Na  Na2  1  0.269  0.731  0.250  1.0
  Na  Na3  1  0.786  0.719  0.253  1.0
  Na  Na4  1  0.500  0.500  0.500  1.0
  Na  Na5  1  0.719  0.786  0.753  1.0
  Na  Na6  1  0.731  0.269  0.750  1.0
  Na  Na7  1  0.500  0.500  0.000  1.0
  Ga  Ga8  1  0.255  0.745  0.750  1.0
  Ga  Ga9  1  0.745  0.255  0.250  1.0
  Ga  Ga10  1  0.500  0.000  0.000  1.0
  Ga  Ga11  1  0.000  0.500  0.500  1.0
  Cu  Cu12  1  0.000  0.000  0.000  1.0
  Cu  Cu13  1  0.000  0.000  0.500  1.0
  Cu  Cu14  1  0.500  0.000  0.500  1.0
  Cu  Cu15  1  0.000  0.500  0.000  1.0
  F  F16  1  0.982  0.115  0.325  1.0
  F  F17  1  0.299  0.951  0.449  1.0
  F  F18  1  0.912  0.507  0.656  1.0
  F  F19  1  0.585  0.099  0.345  1.0
  F  F20  1  0.100  0.719  0.465  1.0
  F  F21  1  0.701  0.049  0.551  1.0
  F  F22  1  0.900  0.281  0.535  1.0
  F  F23  1  0.719  0.100  0.965  1.0
  F  F24  1  0.507  0.912  0.156  1.0
  F  F25  1  0.049  0.701  0.051  1.0
  F  F26  1  0.493  0.088  0.844  1.0
  F  F27  1  0.018  0.885  0.675  1.0
  F  F28  1  0.281  0.900  0.035  1.0
  F  F29  1  0.099  0.585  0.845  1.0
  F  F30  1  0.276  0.315  0.532  1.0
  F  F31  1  0.685  0.724  0.968  1.0
  F  F32  1  0.901  0.415  0.155  1.0
  F  F33  1  0.492  0.601  0.826  1.0
  F  F34  1  0.601  0.492  0.326  1.0
  F  F35  1  0.885  0.018  0.175  1.0
  F  F36  1  0.724  0.685  0.468  1.0
  F  F37  1  0.399  0.508  0.674  1.0
  F  F38  1  0.088  0.493  0.344  1.0
  F  F39  1  0.315  0.276  0.032  1.0
  F  F40  1  0.415  0.901  0.655  1.0
  F  F41  1  0.508  0.399  0.174  1.0
  F  F42  1  0.951  0.299  0.949  1.0
  F  F43  1  0.115  0.982  0.825  1.0
[/CIF]
.
The crystal structure described by Na2CuGaF7 crystallizes in the monoclinic C2/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(6), one F(7), two equivalent F(3), and two equivalent F(4) atoms. In the second Na site, Na(2) is bonded in a distorted body-centered cubic geometry to two equivalent F(1), two equivalent F(3), two equivalent F(5), and two equivalent F(7) atoms. In the third Na site, Na(3) is bonded to two equivalent F(2), two equivalent F(5), two equivalent F(6), and two equivalent F(7) atoms to form distorted NaF8 hexagonal bipyramids that share corners with two equivalent Ga(1)F6 octahedra, edges with two equivalent Cu(1)F6 octahedra, edges with two equivalent Cu(2)F6 octahedra, and edges with two equivalent Ga(2)F6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(5) atoms to form CuF6 octahedra that share corners with two equivalent Cu(2)F6 octahedra, corners with two equivalent Ga(1)F6 octahedra, corners with two equivalent Ga(2)F6 octahedra, and edges with two equivalent Na(3)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 42-48°. In the second Cu site, Cu(2) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(6) atoms to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with two equivalent Ga(1)F6 octahedra, corners with two equivalent Ga(2)F6 octahedra, and edges with two equivalent Na(3)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 39-48°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent F(1), two equivalent F(4), and two equivalent F(7) atoms to form GaF6 octahedra that share corners with two equivalent Na(3)F8 hexagonal bipyramids, corners with two equivalent Cu(1)F6 octahedra, and corners with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 39-48°. In the second Ga site, Ga(2) is bonded to two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms to form GaF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with two equivalent Cu(2)F6 octahedra, and edges with two equivalent Na(3)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 42-48°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Cu(1), and one Ga(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Na(1), one Na(3), one Cu(1), and one Cu(2) atom. In the third F site, F(3) is bonded to one Na(2), two equivalent Na(1), and one Ga(2) atom to form a mixture of distorted corner and edge-sharing FNa3Ga tetrahedra. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Cu(2), and one Ga(1) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Cu(1), and one Ga(2) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Cu(2), and one Ga(2) atom. In the seventh F site, F(7) is bonded to one Na(1), one Na(2), one Na(3), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing FNa3Ga tetrahedra. is represented by the CIF file [CIF]
data_Na2GaCuF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.298
_cell_length_b   7.298
_cell_length_c   13.004
_cell_angle_alpha   73.029
_cell_angle_beta   73.029
_cell_angle_gamma   61.137
_symmetry_Int_Tables_number   1
_cell_volume   570.565
_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  0.281  0.214  0.247  1.0
  Na  Na1  1  0.214  0.281  0.747  1.0
  Na  Na2  1  0.269  0.731  0.250  1.0
  Na  Na3  1  0.786  0.719  0.253  1.0
  Na  Na4  1  0.500  0.500  0.500  1.0
  Na  Na5  1  0.719  0.786  0.753  1.0
  Na  Na6  1  0.731  0.269  0.750  1.0
  Na  Na7  1  0.500  0.500  0.000  1.0
  Ga  Ga8  1  0.255  0.745  0.750  1.0
  Ga  Ga9  1  0.745  0.255  0.250  1.0
  Ga  Ga10  1  0.500  0.000  0.000  1.0
  Ga  Ga11  1  0.000  0.500  0.500  1.0
  Cu  Cu12  1  0.000  0.000  0.000  1.0
  Cu  Cu13  1  0.000  0.000  0.500  1.0
  Cu  Cu14  1  0.500  0.000  0.500  1.0
  Cu  Cu15  1  0.000  0.500  0.000  1.0
  F  F16  1  0.982  0.115  0.325  1.0
  F  F17  1  0.299  0.951  0.449  1.0
  F  F18  1  0.912  0.507  0.656  1.0
  F  F19  1  0.585  0.099  0.345  1.0
  F  F20  1  0.100  0.719  0.465  1.0
  F  F21  1  0.701  0.049  0.551  1.0
  F  F22  1  0.900  0.281  0.535  1.0
  F  F23  1  0.719  0.100  0.965  1.0
  F  F24  1  0.507  0.912  0.156  1.0
  F  F25  1  0.049  0.701  0.051  1.0
  F  F26  1  0.493  0.088  0.844  1.0
  F  F27  1  0.018  0.885  0.675  1.0
  F  F28  1  0.281  0.900  0.035  1.0
  F  F29  1  0.099  0.585  0.845  1.0
  F  F30  1  0.276  0.315  0.532  1.0
  F  F31  1  0.685  0.724  0.968  1.0
  F  F32  1  0.901  0.415  0.155  1.0
  F  F33  1  0.492  0.601  0.826  1.0
  F  F34  1  0.601  0.492  0.326  1.0
  F  F35  1  0.885  0.018  0.175  1.0
  F  F36  1  0.724  0.685  0.468  1.0
  F  F37  1  0.399  0.508  0.674  1.0
  F  F38  1  0.088  0.493  0.344  1.0
  F  F39  1  0.315  0.276  0.032  1.0
  F  F40  1  0.415  0.901  0.655  1.0
  F  F41  1  0.508  0.399  0.174  1.0
  F  F42  1  0.951  0.299  0.949  1.0
  F  F43  1  0.115  0.982  0.825  1.0
[/CIF]
.