The material described by KMn8O16 crystallizes in the tetragonal P4/n space group. K(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), and two equivalent Mn(2) atoms. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the fourth O site, O(2) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMn8O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.993
_cell_length_b   9.993
_cell_length_c   5.898
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   589.012
_cell_formula_units_Z   2
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  0.000  0.874  1.0
  K  K1  1  0.000  0.500  0.126  1.0
  Mn  Mn2  1  0.833  0.148  0.375  1.0
  Mn  Mn3  1  0.835  0.150  0.875  1.0
  Mn  Mn4  1  0.648  0.667  0.375  1.0
  Mn  Mn5  1  0.650  0.665  0.875  1.0
  Mn  Mn6  1  0.350  0.335  0.875  1.0
  Mn  Mn7  1  0.352  0.333  0.375  1.0
  Mn  Mn8  1  0.165  0.850  0.875  1.0
  Mn  Mn9  1  0.167  0.852  0.375  1.0
  Mn  Mn10  1  0.335  0.650  0.125  1.0
  Mn  Mn11  1  0.333  0.648  0.625  1.0
  Mn  Mn12  1  0.150  0.165  0.125  1.0
  Mn  Mn13  1  0.148  0.167  0.625  1.0
  Mn  Mn14  1  0.850  0.835  0.125  1.0
  Mn  Mn15  1  0.852  0.833  0.625  1.0
  Mn  Mn16  1  0.665  0.350  0.125  1.0
  Mn  Mn17  1  0.667  0.352  0.625  1.0
  O  O18  1  0.043  0.835  0.126  1.0
  O  O19  1  0.044  0.836  0.625  1.0
  O  O20  1  0.335  0.457  0.126  1.0
  O  O21  1  0.336  0.456  0.625  1.0
  O  O22  1  0.665  0.543  0.126  1.0
  O  O23  1  0.664  0.544  0.625  1.0
  O  O24  1  0.957  0.165  0.126  1.0
  O  O25  1  0.956  0.164  0.625  1.0
  O  O26  1  0.543  0.335  0.874  1.0
  O  O27  1  0.544  0.336  0.375  1.0
  O  O28  1  0.835  0.957  0.874  1.0
  O  O29  1  0.836  0.956  0.375  1.0
  O  O30  1  0.164  0.044  0.375  1.0
  O  O31  1  0.165  0.043  0.874  1.0
  O  O32  1  0.456  0.664  0.375  1.0
  O  O33  1  0.457  0.665  0.874  1.0
  O  O34  1  0.204  0.656  0.373  1.0
  O  O35  1  0.203  0.655  0.878  1.0
  O  O36  1  0.155  0.297  0.878  1.0
  O  O37  1  0.156  0.296  0.373  1.0
  O  O38  1  0.797  0.345  0.878  1.0
  O  O39  1  0.796  0.344  0.373  1.0
  O  O40  1  0.844  0.704  0.373  1.0
  O  O41  1  0.845  0.703  0.878  1.0
  O  O42  1  0.703  0.155  0.122  1.0
  O  O43  1  0.704  0.156  0.627  1.0
  O  O44  1  0.655  0.797  0.122  1.0
  O  O45  1  0.656  0.796  0.627  1.0
  O  O46  1  0.297  0.845  0.122  1.0
  O  O47  1  0.296  0.844  0.627  1.0
  O  O48  1  0.345  0.203  0.122  1.0
  O  O49  1  0.344  0.204  0.627  1.0
[/CIF]
.
The material described by KMn8O16 crystallizes in the tetragonal P4/n space group. K(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), and two equivalent Mn(2) atoms. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the fourth O site, O(2) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMn8O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.993
_cell_length_b   9.993
_cell_length_c   5.898
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   589.012
_cell_formula_units_Z   2
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  0.000  0.874  1.0
  K  K1  1  0.000  0.500  0.126  1.0
  Mn  Mn2  1  0.833  0.148  0.375  1.0
  Mn  Mn3  1  0.835  0.150  0.875  1.0
  Mn  Mn4  1  0.648  0.667  0.375  1.0
  Mn  Mn5  1  0.650  0.665  0.875  1.0
  Mn  Mn6  1  0.350  0.335  0.875  1.0
  Mn  Mn7  1  0.352  0.333  0.375  1.0
  Mn  Mn8  1  0.165  0.850  0.875  1.0
  Mn  Mn9  1  0.167  0.852  0.375  1.0
  Mn  Mn10  1  0.335  0.650  0.125  1.0
  Mn  Mn11  1  0.333  0.648  0.625  1.0
  Mn  Mn12  1  0.150  0.165  0.125  1.0
  Mn  Mn13  1  0.148  0.167  0.625  1.0
  Mn  Mn14  1  0.850  0.835  0.125  1.0
  Mn  Mn15  1  0.852  0.833  0.625  1.0
  Mn  Mn16  1  0.665  0.350  0.125  1.0
  Mn  Mn17  1  0.667  0.352  0.625  1.0
  O  O18  1  0.043  0.835  0.126  1.0
  O  O19  1  0.044  0.836  0.625  1.0
  O  O20  1  0.335  0.457  0.126  1.0
  O  O21  1  0.336  0.456  0.625  1.0
  O  O22  1  0.665  0.543  0.126  1.0
  O  O23  1  0.664  0.544  0.625  1.0
  O  O24  1  0.957  0.165  0.126  1.0
  O  O25  1  0.956  0.164  0.625  1.0
  O  O26  1  0.543  0.335  0.874  1.0
  O  O27  1  0.544  0.336  0.375  1.0
  O  O28  1  0.835  0.957  0.874  1.0
  O  O29  1  0.836  0.956  0.375  1.0
  O  O30  1  0.164  0.044  0.375  1.0
  O  O31  1  0.165  0.043  0.874  1.0
  O  O32  1  0.456  0.664  0.375  1.0
  O  O33  1  0.457  0.665  0.874  1.0
  O  O34  1  0.204  0.656  0.373  1.0
  O  O35  1  0.203  0.655  0.878  1.0
  O  O36  1  0.155  0.297  0.878  1.0
  O  O37  1  0.156  0.296  0.373  1.0
  O  O38  1  0.797  0.345  0.878  1.0
  O  O39  1  0.796  0.344  0.373  1.0
  O  O40  1  0.844  0.704  0.373  1.0
  O  O41  1  0.845  0.703  0.878  1.0
  O  O42  1  0.703  0.155  0.122  1.0
  O  O43  1  0.704  0.156  0.627  1.0
  O  O44  1  0.655  0.797  0.122  1.0
  O  O45  1  0.656  0.796  0.627  1.0
  O  O46  1  0.297  0.845  0.122  1.0
  O  O47  1  0.296  0.844  0.627  1.0
  O  O48  1  0.345  0.203  0.122  1.0
  O  O49  1  0.344  0.204  0.627  1.0
[/CIF]
.