The material structure described by Na2CoNiF7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms. 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(2) atoms. Co(1) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form CoF6 octahedra that share corners with two equivalent Co(1)F6 octahedra and corners with four equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. Ni(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form NiF6 octahedra that share corners with four equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles are 44°. 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 Ni(1) atom to form a mixture of corner and edge-sharing FNa3Ni tetrahedra. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Co(1), and one Ni(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Na2CoNiF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.357
_cell_length_b   7.357
_cell_length_c   7.357
_cell_angle_alpha   119.927
_cell_angle_beta   119.845
_cell_angle_gamma   90.197
_symmetry_Int_Tables_number   1
_cell_volume   282.097
_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  0.000  0.500  0.000  1.0
  Na  Na3  1  0.000  0.000  0.500  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.500  0.000  0.000  1.0
  Ni  Ni6  1  0.000  0.500  0.500  1.0
  Ni  Ni7  1  0.500  0.000  0.500  1.0
  F  F8  1  0.867  0.599  0.267  1.0
  F  F9  1  0.168  0.901  0.267  1.0
  F  F10  1  0.192  0.830  0.783  1.0
  F  F11  1  0.453  0.670  0.363  1.0
  F  F12  1  0.453  0.090  0.783  1.0
  F  F13  1  0.192  0.410  0.363  1.0
  F  F14  1  0.808  0.590  0.637  1.0
  F  F15  1  0.547  0.910  0.217  1.0
  F  F16  1  0.547  0.330  0.637  1.0
  F  F17  1  0.808  0.170  0.217  1.0
  F  F18  1  0.410  0.250  0.160  1.0
  F  F19  1  0.133  0.401  0.733  1.0
  F  F20  1  0.832  0.099  0.733  1.0
  F  F21  1  0.590  0.750  0.840  1.0
[/CIF]
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The material structure described by Na2CoNiF7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms. 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(2) atoms. Co(1) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form CoF6 octahedra that share corners with two equivalent Co(1)F6 octahedra and corners with four equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. Ni(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form NiF6 octahedra that share corners with four equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles are 44°. 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 Ni(1) atom to form a mixture of corner and edge-sharing FNa3Ni tetrahedra. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Co(1), and one Ni(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Na2CoNiF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.357
_cell_length_b   7.357
_cell_length_c   7.357
_cell_angle_alpha   119.927
_cell_angle_beta   119.845
_cell_angle_gamma   90.197
_symmetry_Int_Tables_number   1
_cell_volume   282.097
_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  0.000  0.500  0.000  1.0
  Na  Na3  1  0.000  0.000  0.500  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.500  0.000  0.000  1.0
  Ni  Ni6  1  0.000  0.500  0.500  1.0
  Ni  Ni7  1  0.500  0.000  0.500  1.0
  F  F8  1  0.867  0.599  0.267  1.0
  F  F9  1  0.168  0.901  0.267  1.0
  F  F10  1  0.192  0.830  0.783  1.0
  F  F11  1  0.453  0.670  0.363  1.0
  F  F12  1  0.453  0.090  0.783  1.0
  F  F13  1  0.192  0.410  0.363  1.0
  F  F14  1  0.808  0.590  0.637  1.0
  F  F15  1  0.547  0.910  0.217  1.0
  F  F16  1  0.547  0.330  0.637  1.0
  F  F17  1  0.808  0.170  0.217  1.0
  F  F18  1  0.410  0.250  0.160  1.0
  F  F19  1  0.133  0.401  0.733  1.0
  F  F20  1  0.832  0.099  0.733  1.0
  F  F21  1  0.590  0.750  0.840  1.0
[/CIF]
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