The crystal structure described by LiMn8O16 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a bent 120 degrees geometry to one O(15) and one O(9) atom. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(14), one O(4), one O(7), one O(8), and one O(9) atom to form a mixture of edge and corner-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(10), one O(13), one O(3), one O(7), one O(8), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(15), one O(5), one O(6), and one O(8) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(12), one O(16), one O(5), one O(6), and one O(7) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(11), one O(15), one O(16), one O(3), and one O(4) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the sixth Mn site, Mn(6) is bonded to one O(12), one O(15), one O(16), one O(2), one O(3), and one O(4) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(10), one O(13), one O(14), one O(2), and one O(5) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(13), one O(14), one O(2), one O(6), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(5), one Mn(7), and one Mn(8) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(6), one Mn(7), and one Mn(8) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(7) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(8) 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. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(8) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(7) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(7), and one Mn(8) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(5), and one Mn(6) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(5), and one Mn(6) atom. is represented by the CIF file [CIF]
data_LiMn8O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.901
_cell_length_b   9.879
_cell_length_c   13.970
_cell_angle_alpha   45.602
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   581.888
_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
  Li  Li0  1  0.375  0.089  0.422  1.0
  Li  Li1  1  0.625  0.089  0.922  1.0
  Mn  Mn2  1  0.626  0.485  0.347  1.0
  Mn  Mn3  1  0.124  0.486  0.346  1.0
  Mn  Mn4  1  0.626  0.821  0.831  1.0
  Mn  Mn5  1  0.124  0.823  0.830  1.0
  Mn  Mn6  1  0.124  0.188  0.161  1.0
  Mn  Mn7  1  0.626  0.188  0.161  1.0
  Mn  Mn8  1  0.125  0.522  0.646  1.0
  Mn  Mn9  1  0.625  0.524  0.644  1.0
  Mn  Mn10  1  0.876  0.486  0.846  1.0
  Mn  Mn11  1  0.374  0.485  0.847  1.0
  Mn  Mn12  1  0.876  0.823  0.330  1.0
  Mn  Mn13  1  0.374  0.821  0.331  1.0
  Mn  Mn14  1  0.876  0.188  0.661  1.0
  Mn  Mn15  1  0.374  0.188  0.661  1.0
  Mn  Mn16  1  0.875  0.522  0.146  1.0
  Mn  Mn17  1  0.375  0.524  0.144  1.0
  O  O18  1  0.875  0.386  0.657  1.0
  O  O19  1  0.376  0.386  0.657  1.0
  O  O20  1  0.875  0.290  0.039  1.0
  O  O21  1  0.375  0.290  0.039  1.0
  O  O22  1  0.875  0.718  0.953  1.0
  O  O23  1  0.375  0.719  0.953  1.0
  O  O24  1  0.875  0.622  0.336  1.0
  O  O25  1  0.375  0.622  0.336  1.0
  O  O26  1  0.125  0.386  0.157  1.0
  O  O27  1  0.624  0.386  0.157  1.0
  O  O28  1  0.125  0.290  0.539  1.0
  O  O29  1  0.625  0.290  0.539  1.0
  O  O30  1  0.625  0.719  0.453  1.0
  O  O31  1  0.125  0.718  0.453  1.0
  O  O32  1  0.625  0.622  0.836  1.0
  O  O33  1  0.125  0.622  0.836  1.0
  O  O34  1  0.626  0.356  0.839  1.0
  O  O35  1  0.125  0.363  0.838  1.0
  O  O36  1  0.126  0.955  0.201  1.0
  O  O37  1  0.624  0.956  0.199  1.0
  O  O38  1  0.125  0.644  0.153  1.0
  O  O39  1  0.624  0.646  0.152  1.0
  O  O40  1  0.625  0.060  0.793  1.0
  O  O41  1  0.125  0.062  0.788  1.0
  O  O42  1  0.875  0.363  0.338  1.0
  O  O43  1  0.374  0.356  0.339  1.0
  O  O44  1  0.874  0.955  0.701  1.0
  O  O45  1  0.376  0.956  0.699  1.0
  O  O46  1  0.875  0.644  0.653  1.0
  O  O47  1  0.376  0.646  0.652  1.0
  O  O48  1  0.875  0.062  0.288  1.0
  O  O49  1  0.375  0.060  0.293  1.0
[/CIF]
.
The crystal structure described by LiMn8O16 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a bent 120 degrees geometry to one O(15) and one O(9) atom. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(14), one O(4), one O(7), one O(8), and one O(9) atom to form a mixture of edge and corner-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(10), one O(13), one O(3), one O(7), one O(8), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(15), one O(5), one O(6), and one O(8) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(12), one O(16), one O(5), one O(6), and one O(7) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(11), one O(15), one O(16), one O(3), and one O(4) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the sixth Mn site, Mn(6) is bonded to one O(12), one O(15), one O(16), one O(2), one O(3), and one O(4) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(10), one O(13), one O(14), one O(2), and one O(5) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(13), one O(14), one O(2), one O(6), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(5), one Mn(7), and one Mn(8) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(6), one Mn(7), and one Mn(8) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(7) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(8) 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. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(8) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(7) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(7), and one Mn(8) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(5), and one Mn(6) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(5), and one Mn(6) atom. is represented by the CIF file [CIF]
data_LiMn8O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.901
_cell_length_b   9.879
_cell_length_c   13.970
_cell_angle_alpha   45.602
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   581.888
_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
  Li  Li0  1  0.375  0.089  0.422  1.0
  Li  Li1  1  0.625  0.089  0.922  1.0
  Mn  Mn2  1  0.626  0.485  0.347  1.0
  Mn  Mn3  1  0.124  0.486  0.346  1.0
  Mn  Mn4  1  0.626  0.821  0.831  1.0
  Mn  Mn5  1  0.124  0.823  0.830  1.0
  Mn  Mn6  1  0.124  0.188  0.161  1.0
  Mn  Mn7  1  0.626  0.188  0.161  1.0
  Mn  Mn8  1  0.125  0.522  0.646  1.0
  Mn  Mn9  1  0.625  0.524  0.644  1.0
  Mn  Mn10  1  0.876  0.486  0.846  1.0
  Mn  Mn11  1  0.374  0.485  0.847  1.0
  Mn  Mn12  1  0.876  0.823  0.330  1.0
  Mn  Mn13  1  0.374  0.821  0.331  1.0
  Mn  Mn14  1  0.876  0.188  0.661  1.0
  Mn  Mn15  1  0.374  0.188  0.661  1.0
  Mn  Mn16  1  0.875  0.522  0.146  1.0
  Mn  Mn17  1  0.375  0.524  0.144  1.0
  O  O18  1  0.875  0.386  0.657  1.0
  O  O19  1  0.376  0.386  0.657  1.0
  O  O20  1  0.875  0.290  0.039  1.0
  O  O21  1  0.375  0.290  0.039  1.0
  O  O22  1  0.875  0.718  0.953  1.0
  O  O23  1  0.375  0.719  0.953  1.0
  O  O24  1  0.875  0.622  0.336  1.0
  O  O25  1  0.375  0.622  0.336  1.0
  O  O26  1  0.125  0.386  0.157  1.0
  O  O27  1  0.624  0.386  0.157  1.0
  O  O28  1  0.125  0.290  0.539  1.0
  O  O29  1  0.625  0.290  0.539  1.0
  O  O30  1  0.625  0.719  0.453  1.0
  O  O31  1  0.125  0.718  0.453  1.0
  O  O32  1  0.625  0.622  0.836  1.0
  O  O33  1  0.125  0.622  0.836  1.0
  O  O34  1  0.626  0.356  0.839  1.0
  O  O35  1  0.125  0.363  0.838  1.0
  O  O36  1  0.126  0.955  0.201  1.0
  O  O37  1  0.624  0.956  0.199  1.0
  O  O38  1  0.125  0.644  0.153  1.0
  O  O39  1  0.624  0.646  0.152  1.0
  O  O40  1  0.625  0.060  0.793  1.0
  O  O41  1  0.125  0.062  0.788  1.0
  O  O42  1  0.875  0.363  0.338  1.0
  O  O43  1  0.374  0.356  0.339  1.0
  O  O44  1  0.874  0.955  0.701  1.0
  O  O45  1  0.376  0.956  0.699  1.0
  O  O46  1  0.875  0.644  0.653  1.0
  O  O47  1  0.376  0.646  0.652  1.0
  O  O48  1  0.875  0.062  0.288  1.0
  O  O49  1  0.375  0.060  0.293  1.0
[/CIF]
.