The compound described by Li3Mn8O16 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and corners with four equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Li site, Li(2) is bonded to one O(2), one O(6), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(7), two equivalent O(2), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(6), two equivalent O(3), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OLiMn3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(2), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted edge and corner-sharing OLiMn3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(4), and two equivalent Mn(3) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the sixth O site, O(6) is bonded to one Li(2), one Mn(4), and two equivalent Mn(2) atoms to form a mixture of distorted edge and corner-sharing OLiMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn8O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.972
_cell_length_b   8.197
_cell_length_c   12.062
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   590.543
_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  0.500  0.130  0.000  1.0
  Li  Li1  1  0.000  0.628  0.243  1.0
  Li  Li2  1  0.000  0.628  0.757  1.0
  Li  Li3  1  0.500  0.372  0.257  1.0
  Li  Li4  1  0.000  0.870  0.500  1.0
  Li  Li5  1  0.500  0.372  0.743  1.0
  Mn  Mn6  1  0.000  0.252  0.126  1.0
  Mn  Mn7  1  0.252  0.499  0.000  1.0
  Mn  Mn8  1  0.250  0.000  0.250  1.0
  Mn  Mn9  1  0.500  0.748  0.374  1.0
  Mn  Mn10  1  0.500  0.752  0.122  1.0
  Mn  Mn11  1  0.752  0.501  0.500  1.0
  Mn  Mn12  1  0.750  0.000  0.250  1.0
  Mn  Mn13  1  0.000  0.248  0.378  1.0
  Mn  Mn14  1  0.000  0.248  0.622  1.0
  Mn  Mn15  1  0.248  0.501  0.500  1.0
  Mn  Mn16  1  0.250  0.000  0.750  1.0
  Mn  Mn17  1  0.500  0.752  0.878  1.0
  Mn  Mn18  1  0.500  0.748  0.626  1.0
  Mn  Mn19  1  0.750  0.000  0.750  1.0
  Mn  Mn20  1  0.748  0.499  0.000  1.0
  Mn  Mn21  1  0.000  0.252  0.874  1.0
  O  O22  1  0.763  0.268  0.000  1.0
  O  O23  1  0.000  0.487  0.111  1.0
  O  O24  1  0.237  0.268  0.000  1.0
  O  O25  1  0.274  0.765  0.238  1.0
  O  O26  1  0.500  0.993  0.140  1.0
  O  O27  1  0.500  0.981  0.354  1.0
  O  O28  1  0.500  0.516  0.114  1.0
  O  O29  1  0.726  0.765  0.238  1.0
  O  O30  1  0.787  0.262  0.500  1.0
  O  O31  1  0.774  0.235  0.262  1.0
  O  O32  1  0.000  0.484  0.614  1.0
  O  O33  1  0.000  0.019  0.146  1.0
  O  O34  1  0.000  0.484  0.386  1.0
  O  O35  1  0.000  0.007  0.360  1.0
  O  O36  1  0.226  0.235  0.262  1.0
  O  O37  1  0.213  0.262  0.500  1.0
  O  O38  1  0.274  0.765  0.762  1.0
  O  O39  1  0.263  0.732  0.500  1.0
  O  O40  1  0.500  0.513  0.389  1.0
  O  O41  1  0.500  0.981  0.646  1.0
  O  O42  1  0.500  0.993  0.860  1.0
  O  O43  1  0.500  0.513  0.611  1.0
  O  O44  1  0.737  0.732  0.500  1.0
  O  O45  1  0.726  0.765  0.762  1.0
  O  O46  1  0.774  0.235  0.738  1.0
  O  O47  1  0.000  0.487  0.889  1.0
  O  O48  1  0.000  0.007  0.640  1.0
  O  O49  1  0.000  0.019  0.854  1.0
  O  O50  1  0.226  0.235  0.738  1.0
  O  O51  1  0.287  0.738  0.000  1.0
  O  O52  1  0.500  0.516  0.886  1.0
  O  O53  1  0.713  0.738  0.000  1.0
[/CIF]
.
The compound described by Li3Mn8O16 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and corners with four equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Li site, Li(2) is bonded to one O(2), one O(6), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(7), two equivalent O(2), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(6), two equivalent O(3), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OLiMn3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(2), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted edge and corner-sharing OLiMn3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(4), and two equivalent Mn(3) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the sixth O site, O(6) is bonded to one Li(2), one Mn(4), and two equivalent Mn(2) atoms to form a mixture of distorted edge and corner-sharing OLiMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn8O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.972
_cell_length_b   8.197
_cell_length_c   12.062
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   590.543
_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  0.500  0.130  0.000  1.0
  Li  Li1  1  0.000  0.628  0.243  1.0
  Li  Li2  1  0.000  0.628  0.757  1.0
  Li  Li3  1  0.500  0.372  0.257  1.0
  Li  Li4  1  0.000  0.870  0.500  1.0
  Li  Li5  1  0.500  0.372  0.743  1.0
  Mn  Mn6  1  0.000  0.252  0.126  1.0
  Mn  Mn7  1  0.252  0.499  0.000  1.0
  Mn  Mn8  1  0.250  0.000  0.250  1.0
  Mn  Mn9  1  0.500  0.748  0.374  1.0
  Mn  Mn10  1  0.500  0.752  0.122  1.0
  Mn  Mn11  1  0.752  0.501  0.500  1.0
  Mn  Mn12  1  0.750  0.000  0.250  1.0
  Mn  Mn13  1  0.000  0.248  0.378  1.0
  Mn  Mn14  1  0.000  0.248  0.622  1.0
  Mn  Mn15  1  0.248  0.501  0.500  1.0
  Mn  Mn16  1  0.250  0.000  0.750  1.0
  Mn  Mn17  1  0.500  0.752  0.878  1.0
  Mn  Mn18  1  0.500  0.748  0.626  1.0
  Mn  Mn19  1  0.750  0.000  0.750  1.0
  Mn  Mn20  1  0.748  0.499  0.000  1.0
  Mn  Mn21  1  0.000  0.252  0.874  1.0
  O  O22  1  0.763  0.268  0.000  1.0
  O  O23  1  0.000  0.487  0.111  1.0
  O  O24  1  0.237  0.268  0.000  1.0
  O  O25  1  0.274  0.765  0.238  1.0
  O  O26  1  0.500  0.993  0.140  1.0
  O  O27  1  0.500  0.981  0.354  1.0
  O  O28  1  0.500  0.516  0.114  1.0
  O  O29  1  0.726  0.765  0.238  1.0
  O  O30  1  0.787  0.262  0.500  1.0
  O  O31  1  0.774  0.235  0.262  1.0
  O  O32  1  0.000  0.484  0.614  1.0
  O  O33  1  0.000  0.019  0.146  1.0
  O  O34  1  0.000  0.484  0.386  1.0
  O  O35  1  0.000  0.007  0.360  1.0
  O  O36  1  0.226  0.235  0.262  1.0
  O  O37  1  0.213  0.262  0.500  1.0
  O  O38  1  0.274  0.765  0.762  1.0
  O  O39  1  0.263  0.732  0.500  1.0
  O  O40  1  0.500  0.513  0.389  1.0
  O  O41  1  0.500  0.981  0.646  1.0
  O  O42  1  0.500  0.993  0.860  1.0
  O  O43  1  0.500  0.513  0.611  1.0
  O  O44  1  0.737  0.732  0.500  1.0
  O  O45  1  0.726  0.765  0.762  1.0
  O  O46  1  0.774  0.235  0.738  1.0
  O  O47  1  0.000  0.487  0.889  1.0
  O  O48  1  0.000  0.007  0.640  1.0
  O  O49  1  0.000  0.019  0.854  1.0
  O  O50  1  0.226  0.235  0.738  1.0
  O  O51  1  0.287  0.738  0.000  1.0
  O  O52  1  0.500  0.516  0.886  1.0
  O  O53  1  0.713  0.738  0.000  1.0
[/CIF]
.