The crystal structure described by KMn8O16 crystallizes in the triclinic P-1 space group. K(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2); one O(5,8); one O(6); one O(7); and two equivalent O(1) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Mn site, Mn(2) is bonded to one O(1); one O(7); two equivalent O(2); and two equivalent O(5,8) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Mn site, Mn(3) is bonded to one O(3); one O(6); two equivalent O(4); and two equivalent O(5,8) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the fourth Mn site, Mn(4) is bonded to one O(4); one O(5,8); one O(6); one O(7); 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 49-50°. There are seven inequivalent O sites. In the first O site, O(1) 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(2) 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(3) is bonded in a 3-coordinate geometry to one K(1), one Mn(3), and two equivalent Mn(4) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Mn(4), and two equivalent Mn(3) atoms. In the fifth O site, O(5,8) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMn8O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.731
_cell_length_b   7.071
_cell_length_c   7.075
_cell_angle_alpha   87.610
_cell_angle_beta   101.700
_cell_angle_gamma   101.703
_symmetry_Int_Tables_number   1
_cell_volume   274.926
_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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.575  0.818  0.483  1.0
  Mn  Mn2  1  0.076  0.818  0.486  1.0
  Mn  Mn3  1  0.924  0.182  0.514  1.0
  Mn  Mn4  1  0.425  0.182  0.517  1.0
  Mn  Mn5  1  0.167  0.486  0.182  1.0
  Mn  Mn6  1  0.666  0.483  0.182  1.0
  Mn  Mn7  1  0.334  0.517  0.818  1.0
  Mn  Mn8  1  0.833  0.514  0.818  1.0
  O  O9  1  0.674  0.048  0.641  1.0
  O  O10  1  0.171  0.048  0.643  1.0
  O  O11  1  0.829  0.952  0.357  1.0
  O  O12  1  0.326  0.952  0.359  1.0
  O  O13  1  0.650  0.641  0.952  1.0
  O  O14  1  0.147  0.643  0.952  1.0
  O  O15  1  0.853  0.357  0.048  1.0
  O  O16  1  0.350  0.359  0.048  1.0
  O  O17  1  0.978  0.624  0.292  1.0
  O  O18  1  0.480  0.622  0.294  1.0
  O  O19  1  0.520  0.378  0.706  1.0
  O  O20  1  0.022  0.376  0.708  1.0
  O  O21  1  0.668  0.295  0.379  1.0
  O  O22  1  0.168  0.292  0.376  1.0
  O  O23  1  0.832  0.708  0.624  1.0
  O  O24  1  0.332  0.705  0.621  1.0
[/CIF]
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The crystal structure described by KMn8O16 crystallizes in the triclinic P-1 space group. K(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2); one O(5,8); one O(6); one O(7); and two equivalent O(1) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Mn site, Mn(2) is bonded to one O(1); one O(7); two equivalent O(2); and two equivalent O(5,8) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Mn site, Mn(3) is bonded to one O(3); one O(6); two equivalent O(4); and two equivalent O(5,8) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the fourth Mn site, Mn(4) is bonded to one O(4); one O(5,8); one O(6); one O(7); 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 49-50°. There are seven inequivalent O sites. In the first O site, O(1) 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(2) 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(3) is bonded in a 3-coordinate geometry to one K(1), one Mn(3), and two equivalent Mn(4) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Mn(4), and two equivalent Mn(3) atoms. In the fifth O site, O(5,8) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMn8O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.731
_cell_length_b   7.071
_cell_length_c   7.075
_cell_angle_alpha   87.610
_cell_angle_beta   101.700
_cell_angle_gamma   101.703
_symmetry_Int_Tables_number   1
_cell_volume   274.926
_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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.575  0.818  0.483  1.0
  Mn  Mn2  1  0.076  0.818  0.486  1.0
  Mn  Mn3  1  0.924  0.182  0.514  1.0
  Mn  Mn4  1  0.425  0.182  0.517  1.0
  Mn  Mn5  1  0.167  0.486  0.182  1.0
  Mn  Mn6  1  0.666  0.483  0.182  1.0
  Mn  Mn7  1  0.334  0.517  0.818  1.0
  Mn  Mn8  1  0.833  0.514  0.818  1.0
  O  O9  1  0.674  0.048  0.641  1.0
  O  O10  1  0.171  0.048  0.643  1.0
  O  O11  1  0.829  0.952  0.357  1.0
  O  O12  1  0.326  0.952  0.359  1.0
  O  O13  1  0.650  0.641  0.952  1.0
  O  O14  1  0.147  0.643  0.952  1.0
  O  O15  1  0.853  0.357  0.048  1.0
  O  O16  1  0.350  0.359  0.048  1.0
  O  O17  1  0.978  0.624  0.292  1.0
  O  O18  1  0.480  0.622  0.294  1.0
  O  O19  1  0.520  0.378  0.706  1.0
  O  O20  1  0.022  0.376  0.708  1.0
  O  O21  1  0.668  0.295  0.379  1.0
  O  O22  1  0.168  0.292  0.376  1.0
  O  O23  1  0.832  0.708  0.624  1.0
  O  O24  1  0.332  0.705  0.621  1.0
[/CIF]
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