The crystal structure described by CsCoNiF6 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form CsF6 octahedra that share corners with six equivalent Co(1)F6 octahedra and corners with six equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 67-70°. Co(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form CoF6 octahedra that share corners with two equivalent Co(1)F6 octahedra, corners with four equivalent Ni(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-69°. 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 Co(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-70°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Ni(1) atoms. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Cs(1), one Co(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsCoNiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.364
_cell_length_b   7.364
_cell_length_c   7.364
_cell_angle_alpha   119.999
_cell_angle_beta   119.615
_cell_angle_gamma   90.335
_symmetry_Int_Tables_number   1
_cell_volume   283.154
_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
  Cs  Cs0  1  0.372  0.622  0.750  1.0
  Cs  Cs1  1  0.628  0.378  0.250  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  Ni  Ni4  1  0.000  0.000  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.000  1.0
  F  F6  1  0.319  0.069  0.250  1.0
  F  F7  1  0.927  0.677  0.250  1.0
  F  F8  1  0.330  0.690  0.262  1.0
  F  F9  1  0.929  0.069  0.238  1.0
  F  F10  1  0.330  0.069  0.640  1.0
  F  F11  1  0.929  0.690  0.860  1.0
  F  F12  1  0.681  0.931  0.750  1.0
  F  F13  1  0.073  0.323  0.750  1.0
  F  F14  1  0.670  0.310  0.738  1.0
  F  F15  1  0.071  0.931  0.762  1.0
  F  F16  1  0.670  0.931  0.360  1.0
  F  F17  1  0.071  0.310  0.140  1.0
[/CIF]
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The crystal structure described by CsCoNiF6 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form CsF6 octahedra that share corners with six equivalent Co(1)F6 octahedra and corners with six equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 67-70°. Co(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form CoF6 octahedra that share corners with two equivalent Co(1)F6 octahedra, corners with four equivalent Ni(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-69°. 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 Co(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-70°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Ni(1) atoms. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Cs(1), one Co(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsCoNiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.364
_cell_length_b   7.364
_cell_length_c   7.364
_cell_angle_alpha   119.999
_cell_angle_beta   119.615
_cell_angle_gamma   90.335
_symmetry_Int_Tables_number   1
_cell_volume   283.154
_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
  Cs  Cs0  1  0.372  0.622  0.750  1.0
  Cs  Cs1  1  0.628  0.378  0.250  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  Ni  Ni4  1  0.000  0.000  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.000  1.0
  F  F6  1  0.319  0.069  0.250  1.0
  F  F7  1  0.927  0.677  0.250  1.0
  F  F8  1  0.330  0.690  0.262  1.0
  F  F9  1  0.929  0.069  0.238  1.0
  F  F10  1  0.330  0.069  0.640  1.0
  F  F11  1  0.929  0.690  0.860  1.0
  F  F12  1  0.681  0.931  0.750  1.0
  F  F13  1  0.073  0.323  0.750  1.0
  F  F14  1  0.670  0.310  0.738  1.0
  F  F15  1  0.071  0.931  0.762  1.0
  F  F16  1  0.670  0.931  0.360  1.0
  F  F17  1  0.071  0.310  0.140  1.0
[/CIF]
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