The compound described by KMn4O8 crystallizes in the triclinic P1 space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), one O(8), and two equivalent O(2) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(2)O5 trigonal bipyramids, and  a faceface with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form a mixture of edge and corner-sharing MnO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-54°. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O5 trigonal bipyramids, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), one Mn(3), and one Mn(4) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent K(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one K(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a trigonal pyramidal geometry to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(1), one Mn(1), one Mn(3), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the CIF file [CIF]
data_KMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.816
_cell_length_b   5.442
_cell_length_c   7.162
_cell_angle_alpha   86.622
_cell_angle_beta   83.906
_cell_angle_gamma   64.519
_symmetry_Int_Tables_number   1
_cell_volume   168.473
_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  0.830  0.427  0.436  1.0
  Mn  Mn1  1  0.039  0.871  0.878  1.0
  Mn  Mn2  1  0.513  0.994  0.673  1.0
  Mn  Mn3  1  0.759  0.407  0.969  1.0
  Mn  Mn4  1  0.474  0.067  0.160  1.0
  O  O5  1  0.075  0.080  0.095  1.0
  O  O6  1  0.488  0.982  0.412  1.0
  O  O7  1  0.477  0.418  0.178  1.0
  O  O8  1  0.076  0.189  0.748  1.0
  O  O9  1  0.942  0.785  0.652  1.0
  O  O10  1  0.606  0.134  0.900  1.0
  O  O11  1  0.869  0.669  0.055  1.0
  O  O12  1  0.467  0.669  0.813  1.0
[/CIF]
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The compound described by KMn4O8 crystallizes in the triclinic P1 space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), one O(8), and two equivalent O(2) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(2)O5 trigonal bipyramids, and  a faceface with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form a mixture of edge and corner-sharing MnO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-54°. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O5 trigonal bipyramids, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), one Mn(3), and one Mn(4) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent K(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one K(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a trigonal pyramidal geometry to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(1), one Mn(1), one Mn(3), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the CIF file [CIF]
data_KMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.816
_cell_length_b   5.442
_cell_length_c   7.162
_cell_angle_alpha   86.622
_cell_angle_beta   83.906
_cell_angle_gamma   64.519
_symmetry_Int_Tables_number   1
_cell_volume   168.473
_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  0.830  0.427  0.436  1.0
  Mn  Mn1  1  0.039  0.871  0.878  1.0
  Mn  Mn2  1  0.513  0.994  0.673  1.0
  Mn  Mn3  1  0.759  0.407  0.969  1.0
  Mn  Mn4  1  0.474  0.067  0.160  1.0
  O  O5  1  0.075  0.080  0.095  1.0
  O  O6  1  0.488  0.982  0.412  1.0
  O  O7  1  0.477  0.418  0.178  1.0
  O  O8  1  0.076  0.189  0.748  1.0
  O  O9  1  0.942  0.785  0.652  1.0
  O  O10  1  0.606  0.134  0.900  1.0
  O  O11  1  0.869  0.669  0.055  1.0
  O  O12  1  0.467  0.669  0.813  1.0
[/CIF]
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