The structure described by Na2CrNiF7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent F(1), two equivalent F(2), and four equivalent F(3) atoms to form distorted NaF8 hexagonal bipyramids that share corners with two equivalent Na(1)F8 hexagonal bipyramids, corners with two equivalent Cr(1)F6 octahedra, edges with two equivalent Cr(1)F6 octahedra, and edges with four equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Na site, Na(2) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(3) atoms. Cr(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form CrF6 octahedra that share corners with two equivalent Na(1)F8 hexagonal bipyramids, corners with four equivalent Ni(1)F6 octahedra, and edges with two equivalent Na(1)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 43°. Ni(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form NiF6 octahedra that share corners with two equivalent Ni(1)F6 octahedra, corners with four equivalent Cr(1)F6 octahedra, and edges with four equivalent Na(1)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 43-48°. There are three inequivalent F sites. In the first F site, F(1) is bonded to one Na(1), two equivalent Na(2), and one Cr(1) atom to form a mixture of distorted edge and corner-sharing FNa3Cr tetrahedra. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Ni(1) atoms. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Cr(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2CrNiF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.227
_cell_length_b   7.227
_cell_length_c   7.227
_cell_angle_alpha   120.865
_cell_angle_beta   118.656
_cell_angle_gamma   90.426
_symmetry_Int_Tables_number   1
_cell_volume   267.715
_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  0.500  0.500  0.000  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Na  Na3  1  0.500  0.000  0.000  1.0
  Cr  Cr4  1  0.000  0.500  0.500  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  Ni  Ni6  1  0.000  0.500  0.000  1.0
  Ni  Ni7  1  0.000  0.000  0.500  1.0
  F  F8  1  0.361  0.091  0.270  1.0
  F  F9  1  0.892  0.750  0.142  1.0
  F  F10  1  0.322  0.084  0.638  1.0
  F  F11  1  0.678  0.916  0.362  1.0
  F  F12  1  0.053  0.416  0.237  1.0
  F  F13  1  0.947  0.584  0.763  1.0
  F  F14  1  0.679  0.409  0.270  1.0
  F  F15  1  0.639  0.909  0.730  1.0
  F  F16  1  0.108  0.250  0.858  1.0
  F  F17  1  0.053  0.816  0.638  1.0
  F  F18  1  0.947  0.184  0.362  1.0
  F  F19  1  0.322  0.684  0.237  1.0
  F  F20  1  0.321  0.591  0.730  1.0
  F  F21  1  0.678  0.316  0.763  1.0
[/CIF]
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The structure described by Na2CrNiF7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent F(1), two equivalent F(2), and four equivalent F(3) atoms to form distorted NaF8 hexagonal bipyramids that share corners with two equivalent Na(1)F8 hexagonal bipyramids, corners with two equivalent Cr(1)F6 octahedra, edges with two equivalent Cr(1)F6 octahedra, and edges with four equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Na site, Na(2) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(3) atoms. Cr(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form CrF6 octahedra that share corners with two equivalent Na(1)F8 hexagonal bipyramids, corners with four equivalent Ni(1)F6 octahedra, and edges with two equivalent Na(1)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 43°. Ni(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form NiF6 octahedra that share corners with two equivalent Ni(1)F6 octahedra, corners with four equivalent Cr(1)F6 octahedra, and edges with four equivalent Na(1)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 43-48°. There are three inequivalent F sites. In the first F site, F(1) is bonded to one Na(1), two equivalent Na(2), and one Cr(1) atom to form a mixture of distorted edge and corner-sharing FNa3Cr tetrahedra. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Ni(1) atoms. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Cr(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2CrNiF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.227
_cell_length_b   7.227
_cell_length_c   7.227
_cell_angle_alpha   120.865
_cell_angle_beta   118.656
_cell_angle_gamma   90.426
_symmetry_Int_Tables_number   1
_cell_volume   267.715
_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  0.500  0.500  0.000  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Na  Na3  1  0.500  0.000  0.000  1.0
  Cr  Cr4  1  0.000  0.500  0.500  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  Ni  Ni6  1  0.000  0.500  0.000  1.0
  Ni  Ni7  1  0.000  0.000  0.500  1.0
  F  F8  1  0.361  0.091  0.270  1.0
  F  F9  1  0.892  0.750  0.142  1.0
  F  F10  1  0.322  0.084  0.638  1.0
  F  F11  1  0.678  0.916  0.362  1.0
  F  F12  1  0.053  0.416  0.237  1.0
  F  F13  1  0.947  0.584  0.763  1.0
  F  F14  1  0.679  0.409  0.270  1.0
  F  F15  1  0.639  0.909  0.730  1.0
  F  F16  1  0.108  0.250  0.858  1.0
  F  F17  1  0.053  0.816  0.638  1.0
  F  F18  1  0.947  0.184  0.362  1.0
  F  F19  1  0.322  0.684  0.237  1.0
  F  F20  1  0.321  0.591  0.730  1.0
  F  F21  1  0.678  0.316  0.763  1.0
[/CIF]
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