The material structure described by KCoF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. K(1) is bonded to twelve equivalent F(1) atoms to form KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, and faces with eight equivalent Co(1)F6 octahedra. Co(1) is bonded to six equivalent F(1) atoms to form CoF6 octahedra that share corners with six equivalent Co(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded to four equivalent K(1) and two equivalent Co(1) atoms to form a mixture of distorted face, corner, and edge-sharing FK4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_KCoF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.105
_cell_length_b   4.105
_cell_length_c   4.105
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   69.186
_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
  Co  Co1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.500  0.500  0.000  1.0
  F  F3  1  0.500  0.000  0.500  1.0
  F  F4  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by KCoF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. K(1) is bonded to twelve equivalent F(1) atoms to form KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, and faces with eight equivalent Co(1)F6 octahedra. Co(1) is bonded to six equivalent F(1) atoms to form CoF6 octahedra that share corners with six equivalent Co(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded to four equivalent K(1) and two equivalent Co(1) atoms to form a mixture of distorted face, corner, and edge-sharing FK4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_KCoF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.105
_cell_length_b   4.105
_cell_length_c   4.105
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   69.186
_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
  Co  Co1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.500  0.500  0.000  1.0
  F  F3  1  0.500  0.000  0.500  1.0
  F  F4  1  0.000  0.500  0.500  1.0
[/CIF]
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