The material described by KCrF6 crystallizes in the trigonal R-3 space group. K(1) is bonded to twelve equivalent F(1) atoms to form KF12 cuboctahedra that share corners with six equivalent Cr(1)F6 octahedra, edges with six equivalent K(1)F12 cuboctahedra, and faces with two equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles are 33°. Cr(1) is bonded to six equivalent F(1) atoms to form CrF6 octahedra that share corners with six equivalent K(1)F12 cuboctahedra and faces with two equivalent K(1)F12 cuboctahedra. F(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Cr(1) atom. is represented by the CIF card [CIF]
data_KCrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.834
_cell_length_b   4.834
_cell_length_c   4.834
_cell_angle_alpha   98.050
_cell_angle_beta   98.050
_cell_angle_gamma   98.049
_symmetry_Int_Tables_number   1
_cell_volume   109.256
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.583  0.264  0.219  1.0
  F  F3  1  0.264  0.219  0.583  1.0
  F  F4  1  0.781  0.417  0.736  1.0
  F  F5  1  0.736  0.781  0.417  1.0
  F  F6  1  0.417  0.736  0.781  1.0
  F  F7  1  0.219  0.583  0.264  1.0
[/CIF]
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The material described by KCrF6 crystallizes in the trigonal R-3 space group. K(1) is bonded to twelve equivalent F(1) atoms to form KF12 cuboctahedra that share corners with six equivalent Cr(1)F6 octahedra, edges with six equivalent K(1)F12 cuboctahedra, and faces with two equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles are 33°. Cr(1) is bonded to six equivalent F(1) atoms to form CrF6 octahedra that share corners with six equivalent K(1)F12 cuboctahedra and faces with two equivalent K(1)F12 cuboctahedra. F(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Cr(1) atom. is represented by the CIF card [CIF]
data_KCrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.834
_cell_length_b   4.834
_cell_length_c   4.834
_cell_angle_alpha   98.050
_cell_angle_beta   98.050
_cell_angle_gamma   98.049
_symmetry_Int_Tables_number   1
_cell_volume   109.256
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.583  0.264  0.219  1.0
  F  F3  1  0.264  0.219  0.583  1.0
  F  F4  1  0.781  0.417  0.736  1.0
  F  F5  1  0.736  0.781  0.417  1.0
  F  F6  1  0.417  0.736  0.781  1.0
  F  F7  1  0.219  0.583  0.264  1.0
[/CIF]
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