The compound described by KNiCrF6 crystallizes in the orthorhombic Imma space group. K(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form KF6 octahedra that share corners with six equivalent Cr(1)F6 octahedra and corners with six equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 67-69°. 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 Cr(1)F6 octahedra, corners with four equivalent Ni(1)F6 octahedra, and corners with six equivalent K(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-69°. 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 Cr(1)F6 octahedra, and corners with six equivalent K(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-69°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent Cr(1) atoms. In the second F site, F(2) is bonded in a 3-coordinate geometry to one K(1) and two equivalent Ni(1) atoms. In the third F site, F(3) is bonded in a 2-coordinate geometry to one K(1), one Cr(1), and one Ni(1) atom. is represented by the CIF file [CIF]
data_KCrNiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.338
_cell_length_b   7.338
_cell_length_c   7.338
_cell_angle_alpha   120.254
_cell_angle_beta   120.103
_cell_angle_gamma   89.691
_symmetry_Int_Tables_number   1
_cell_volume   278.604
_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
  K  K0  1  0.372  0.122  0.250  1.0
  K  K1  1  0.628  0.878  0.750  1.0
  Cr  Cr2  1  0.000  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.500  0.000  1.0
  Ni  Ni4  1  0.000  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  F  F6  1  0.319  0.569  0.750  1.0
  F  F7  1  0.925  0.175  0.750  1.0
  F  F8  1  0.329  0.185  0.758  1.0
  F  F9  1  0.926  0.571  0.742  1.0
  F  F10  1  0.329  0.571  0.144  1.0
  F  F11  1  0.926  0.185  0.356  1.0
  F  F12  1  0.681  0.431  0.250  1.0
  F  F13  1  0.075  0.825  0.250  1.0
  F  F14  1  0.671  0.815  0.242  1.0
  F  F15  1  0.074  0.429  0.258  1.0
  F  F16  1  0.671  0.429  0.856  1.0
  F  F17  1  0.074  0.815  0.644  1.0
[/CIF]
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The compound described by KNiCrF6 crystallizes in the orthorhombic Imma space group. K(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form KF6 octahedra that share corners with six equivalent Cr(1)F6 octahedra and corners with six equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 67-69°. 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 Cr(1)F6 octahedra, corners with four equivalent Ni(1)F6 octahedra, and corners with six equivalent K(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-69°. 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 Cr(1)F6 octahedra, and corners with six equivalent K(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-69°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent Cr(1) atoms. In the second F site, F(2) is bonded in a 3-coordinate geometry to one K(1) and two equivalent Ni(1) atoms. In the third F site, F(3) is bonded in a 2-coordinate geometry to one K(1), one Cr(1), and one Ni(1) atom. is represented by the CIF file [CIF]
data_KCrNiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.338
_cell_length_b   7.338
_cell_length_c   7.338
_cell_angle_alpha   120.254
_cell_angle_beta   120.103
_cell_angle_gamma   89.691
_symmetry_Int_Tables_number   1
_cell_volume   278.604
_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
  K  K0  1  0.372  0.122  0.250  1.0
  K  K1  1  0.628  0.878  0.750  1.0
  Cr  Cr2  1  0.000  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.500  0.000  1.0
  Ni  Ni4  1  0.000  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  F  F6  1  0.319  0.569  0.750  1.0
  F  F7  1  0.925  0.175  0.750  1.0
  F  F8  1  0.329  0.185  0.758  1.0
  F  F9  1  0.926  0.571  0.742  1.0
  F  F10  1  0.329  0.571  0.144  1.0
  F  F11  1  0.926  0.185  0.356  1.0
  F  F12  1  0.681  0.431  0.250  1.0
  F  F13  1  0.075  0.825  0.250  1.0
  F  F14  1  0.671  0.815  0.242  1.0
  F  F15  1  0.074  0.429  0.258  1.0
  F  F16  1  0.671  0.429  0.856  1.0
  F  F17  1  0.074  0.815  0.644  1.0
[/CIF]
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