The material described by K3MnO4 crystallizes in the tetragonal I-42m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. 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 Mn(1)O4 tetrahedra and corners with four equivalent K(2)O4 trigonal pyramids. Mn(1) is bonded to four equivalent O(1) atoms to form MnO4 tetrahedra that share corners with eight equivalent K(2)O4 trigonal pyramids. O(1) is bonded in a 1-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3MnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   5.750
_cell_length_c   5.753
_cell_angle_alpha   111.207
_cell_angle_beta   111.187
_cell_angle_gamma   106.028
_symmetry_Int_Tables_number   1
_cell_volume   146.069
_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
  K  K1  1  0.250  0.750  0.500  1.0
  K  K2  1  0.750  0.250  0.500  1.0
  Mn  Mn3  1  1.000  1.000  1.000  1.0
  O  O4  1  0.293  0.989  0.000  1.0
  O  O5  1  0.011  0.011  0.303  1.0
  O  O6  1  0.708  0.708  0.696  1.0
  O  O7  1  0.989  0.292  0.000  1.0
[/CIF]
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The material described by K3MnO4 crystallizes in the tetragonal I-42m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. 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 Mn(1)O4 tetrahedra and corners with four equivalent K(2)O4 trigonal pyramids. Mn(1) is bonded to four equivalent O(1) atoms to form MnO4 tetrahedra that share corners with eight equivalent K(2)O4 trigonal pyramids. O(1) is bonded in a 1-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3MnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   5.750
_cell_length_c   5.753
_cell_angle_alpha   111.207
_cell_angle_beta   111.187
_cell_angle_gamma   106.028
_symmetry_Int_Tables_number   1
_cell_volume   146.069
_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
  K  K1  1  0.250  0.750  0.500  1.0
  K  K2  1  0.750  0.250  0.500  1.0
  Mn  Mn3  1  1.000  1.000  1.000  1.0
  O  O4  1  0.293  0.989  0.000  1.0
  O  O5  1  0.011  0.011  0.303  1.0
  O  O6  1  0.708  0.708  0.696  1.0
  O  O7  1  0.989  0.292  0.000  1.0
[/CIF]
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