The compound described by KCr2Fe3O14 crystallizes in the trigonal R-3m space group. K(1) is bonded to six equivalent O(2) and six equivalent O(3) atoms to form KO12 cuboctahedra that share corners with six equivalent Cr(1)O4 tetrahedra and faces with six equivalent Fe(1)O6 octahedra. Cr(1) is bonded to one O(1) and three equivalent O(2) atoms to form CrO4 tetrahedra that share corners with three equivalent K(1)O12 cuboctahedra and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. Fe(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent Cr(1)O4 tetrahedra, and faces with two equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 37°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cr(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Cr(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCr2Fe3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.291
_cell_length_b   7.291
_cell_length_c   7.291
_cell_angle_alpha   59.360
_cell_angle_beta   59.360
_cell_angle_gamma   59.360
_symmetry_Int_Tables_number   1
_cell_volume   270.070
_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  0.688  0.688  0.688  1.0
  Cr  Cr2  1  0.312  0.312  0.312  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.598  0.598  0.598  1.0
  O  O7  1  0.402  0.402  0.402  1.0
  O  O8  1  0.848  0.470  0.848  1.0
  O  O9  1  0.848  0.848  0.470  1.0
  O  O10  1  0.470  0.848  0.848  1.0
  O  O11  1  0.152  0.530  0.152  1.0
  O  O12  1  0.152  0.152  0.530  1.0
  O  O13  1  0.530  0.152  0.152  1.0
  O  O14  1  0.741  0.091  0.741  1.0
  O  O15  1  0.741  0.741  0.091  1.0
  O  O16  1  0.091  0.741  0.741  1.0
  O  O17  1  0.259  0.909  0.259  1.0
  O  O18  1  0.259  0.259  0.909  1.0
  O  O19  1  0.909  0.259  0.259  1.0
[/CIF]
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The compound described by KCr2Fe3O14 crystallizes in the trigonal R-3m space group. K(1) is bonded to six equivalent O(2) and six equivalent O(3) atoms to form KO12 cuboctahedra that share corners with six equivalent Cr(1)O4 tetrahedra and faces with six equivalent Fe(1)O6 octahedra. Cr(1) is bonded to one O(1) and three equivalent O(2) atoms to form CrO4 tetrahedra that share corners with three equivalent K(1)O12 cuboctahedra and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. Fe(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent Cr(1)O4 tetrahedra, and faces with two equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 37°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cr(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Cr(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCr2Fe3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.291
_cell_length_b   7.291
_cell_length_c   7.291
_cell_angle_alpha   59.360
_cell_angle_beta   59.360
_cell_angle_gamma   59.360
_symmetry_Int_Tables_number   1
_cell_volume   270.070
_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  0.688  0.688  0.688  1.0
  Cr  Cr2  1  0.312  0.312  0.312  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.598  0.598  0.598  1.0
  O  O7  1  0.402  0.402  0.402  1.0
  O  O8  1  0.848  0.470  0.848  1.0
  O  O9  1  0.848  0.848  0.470  1.0
  O  O10  1  0.470  0.848  0.848  1.0
  O  O11  1  0.152  0.530  0.152  1.0
  O  O12  1  0.152  0.152  0.530  1.0
  O  O13  1  0.530  0.152  0.152  1.0
  O  O14  1  0.741  0.091  0.741  1.0
  O  O15  1  0.741  0.741  0.091  1.0
  O  O16  1  0.091  0.741  0.741  1.0
  O  O17  1  0.259  0.909  0.259  1.0
  O  O18  1  0.259  0.259  0.909  1.0
  O  O19  1  0.909  0.259  0.259  1.0
[/CIF]
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