The material structure described by K3CrMnO8 crystallizes in the trigonal R3m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to one O(3), three equivalent O(1), and six equivalent O(2) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to one O(4), three equivalent O(2), and six equivalent O(1) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(4) and three equivalent O(2) atoms. Mn(1) is bonded in a tetrahedral geometry to one O(3) and three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one K(3), two equivalent K(2), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(2), one K(3), two equivalent K(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(2) and one Cr(1) atom. is represented by the CIF file [CIF]
data_K3MnCrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.949
_cell_length_b   7.949
_cell_length_c   7.949
_cell_angle_alpha   43.443
_cell_angle_beta   43.443
_cell_angle_gamma   43.443
_symmetry_Int_Tables_number   1
_cell_volume   215.428
_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  0.295  0.295  0.295  1.0
  K  K1  1  0.700  0.700  0.700  1.0
  K  K2  1  0.505  0.505  0.505  1.0
  Mn  Mn3  1  0.095  0.095  0.095  1.0
  Cr  Cr4  1  0.909  0.909  0.909  1.0
  O  O5  1  0.769  0.220  0.220  1.0
  O  O6  1  0.244  0.781  0.781  1.0
  O  O7  1  0.220  0.220  0.769  1.0
  O  O8  1  0.781  0.244  0.781  1.0
  O  O9  1  0.169  0.169  0.169  1.0
  O  O10  1  0.220  0.769  0.220  1.0
  O  O11  1  0.832  0.832  0.832  1.0
  O  O12  1  0.781  0.781  0.244  1.0
[/CIF]
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The material structure described by K3CrMnO8 crystallizes in the trigonal R3m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to one O(3), three equivalent O(1), and six equivalent O(2) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to one O(4), three equivalent O(2), and six equivalent O(1) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(4) and three equivalent O(2) atoms. Mn(1) is bonded in a tetrahedral geometry to one O(3) and three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one K(3), two equivalent K(2), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(2), one K(3), two equivalent K(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(2) and one Cr(1) atom. is represented by the CIF file [CIF]
data_K3MnCrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.949
_cell_length_b   7.949
_cell_length_c   7.949
_cell_angle_alpha   43.443
_cell_angle_beta   43.443
_cell_angle_gamma   43.443
_symmetry_Int_Tables_number   1
_cell_volume   215.428
_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  0.295  0.295  0.295  1.0
  K  K1  1  0.700  0.700  0.700  1.0
  K  K2  1  0.505  0.505  0.505  1.0
  Mn  Mn3  1  0.095  0.095  0.095  1.0
  Cr  Cr4  1  0.909  0.909  0.909  1.0
  O  O5  1  0.769  0.220  0.220  1.0
  O  O6  1  0.244  0.781  0.781  1.0
  O  O7  1  0.220  0.220  0.769  1.0
  O  O8  1  0.781  0.244  0.781  1.0
  O  O9  1  0.169  0.169  0.169  1.0
  O  O10  1  0.220  0.769  0.220  1.0
  O  O11  1  0.832  0.832  0.832  1.0
  O  O12  1  0.781  0.781  0.244  1.0
[/CIF]
.