The material structure described by K3CrO4 crystallizes in the tetragonal I-42m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent O(1) atoms to form distorted KO4 tetrahedra that share corners with four equivalent K(1)O4 tetrahedra, corners with four equivalent Cr(1)O4 tetrahedra, and corners with four equivalent K(2)O4 trigonal pyramids. In the second K site, K(2) is bonded to four equivalent O(1) atoms to form distorted KO4 trigonal pyramids that share corners with four equivalent Cr(1)O4 tetrahedra and corners with eight equivalent K(1)O4 tetrahedra. Cr(1) is bonded to four equivalent O(1) atoms to form CrO4 tetrahedra that share corners with eight equivalent K(1)O4 tetrahedra and corners with four equivalent K(2)O4 trigonal pyramids. O(1) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Cr(1) atom. is represented by the CIF file [CIF]
data_K3CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.081
_cell_length_b   6.081
_cell_length_c   6.081
_cell_angle_alpha   88.797
_cell_angle_beta   60.692
_cell_angle_gamma   119.308
_symmetry_Int_Tables_number   1
_cell_volume   160.608
_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
  Cr  Cr0  1  0.000  0.000  0.000  1.0
  K  K1  1  0.500  0.750  0.750  1.0
  K  K2  1  0.500  0.250  0.250  1.0
  K  K3  1  0.000  0.500  0.500  1.0
  O  O4  1  1.000  0.723  0.940  1.0
  O  O5  1  0.662  0.940  0.060  1.0
  O  O6  1  0.338  0.277  0.723  1.0
  O  O7  1  1.000  0.060  0.277  1.0
[/CIF]
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The material structure described by K3CrO4 crystallizes in the tetragonal I-42m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent O(1) atoms to form distorted KO4 tetrahedra that share corners with four equivalent K(1)O4 tetrahedra, corners with four equivalent Cr(1)O4 tetrahedra, and corners with four equivalent K(2)O4 trigonal pyramids. In the second K site, K(2) is bonded to four equivalent O(1) atoms to form distorted KO4 trigonal pyramids that share corners with four equivalent Cr(1)O4 tetrahedra and corners with eight equivalent K(1)O4 tetrahedra. Cr(1) is bonded to four equivalent O(1) atoms to form CrO4 tetrahedra that share corners with eight equivalent K(1)O4 tetrahedra and corners with four equivalent K(2)O4 trigonal pyramids. O(1) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Cr(1) atom. is represented by the CIF file [CIF]
data_K3CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.081
_cell_length_b   6.081
_cell_length_c   6.081
_cell_angle_alpha   88.797
_cell_angle_beta   60.692
_cell_angle_gamma   119.308
_symmetry_Int_Tables_number   1
_cell_volume   160.608
_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
  Cr  Cr0  1  0.000  0.000  0.000  1.0
  K  K1  1  0.500  0.750  0.750  1.0
  K  K2  1  0.500  0.250  0.250  1.0
  K  K3  1  0.000  0.500  0.500  1.0
  O  O4  1  1.000  0.723  0.940  1.0
  O  O5  1  0.662  0.940  0.060  1.0
  O  O6  1  0.338  0.277  0.723  1.0
  O  O7  1  1.000  0.060  0.277  1.0
[/CIF]
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