The compound described by KCr4O8 crystallizes in the tetragonal I4/m space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and three equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to three equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCr4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.193
_cell_length_b   7.193
_cell_length_c   7.193
_cell_angle_alpha   92.505
_cell_angle_beta   92.505
_cell_angle_gamma   155.867
_symmetry_Int_Tables_number   1
_cell_volume   148.797
_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  0.500  0.500  0.000  1.0
  Cr  Cr1  1  0.835  0.348  0.184  1.0
  Cr  Cr2  1  0.165  0.652  0.816  1.0
  Cr  Cr3  1  0.348  0.165  0.513  1.0
  Cr  Cr4  1  0.652  0.835  0.487  1.0
  O  O5  1  0.798  0.155  0.952  1.0
  O  O6  1  0.202  0.845  0.048  1.0
  O  O7  1  0.155  0.202  0.357  1.0
  O  O8  1  0.845  0.798  0.643  1.0
  O  O9  1  0.837  0.540  0.377  1.0
  O  O10  1  0.163  0.460  0.623  1.0
  O  O11  1  0.540  0.163  0.702  1.0
  O  O12  1  0.460  0.837  0.298  1.0
[/CIF]
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The compound described by KCr4O8 crystallizes in the tetragonal I4/m space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and three equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to three equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCr4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.193
_cell_length_b   7.193
_cell_length_c   7.193
_cell_angle_alpha   92.505
_cell_angle_beta   92.505
_cell_angle_gamma   155.867
_symmetry_Int_Tables_number   1
_cell_volume   148.797
_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  0.500  0.500  0.000  1.0
  Cr  Cr1  1  0.835  0.348  0.184  1.0
  Cr  Cr2  1  0.165  0.652  0.816  1.0
  Cr  Cr3  1  0.348  0.165  0.513  1.0
  Cr  Cr4  1  0.652  0.835  0.487  1.0
  O  O5  1  0.798  0.155  0.952  1.0
  O  O6  1  0.202  0.845  0.048  1.0
  O  O7  1  0.155  0.202  0.357  1.0
  O  O8  1  0.845  0.798  0.643  1.0
  O  O9  1  0.837  0.540  0.377  1.0
  O  O10  1  0.163  0.460  0.623  1.0
  O  O11  1  0.540  0.163  0.702  1.0
  O  O12  1  0.460  0.837  0.298  1.0
[/CIF]
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