The crystal structure described by Li5Mn5O12 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(3)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-62°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(3)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-66°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O4 trigonal pyramids, corners with two equivalent Li(2)O4 trigonal pyramids, edges with six equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Li(2)O4 trigonal pyramids. There are three inequivalent Mn sites. In the first Mn site, Mn(1) 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 trigonal pyramids, corners with two equivalent Li(2)O4 trigonal pyramids, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O4 trigonal pyramids, corners with two equivalent Li(2)O4 trigonal pyramids, edges with three equivalent Li(3)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Li(2)O4 trigonal pyramids. 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 trigonal pyramids, corners with two equivalent Li(2)O4 trigonal pyramids, and edges with six equivalent Mn(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), and two equivalent Mn(2) atoms to form a mixture of corner and edge-sharing OLi3Mn2 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), and two equivalent Mn(2) atoms to form a mixture of corner and edge-sharing OLi3Mn2 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(3), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(3), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), and two equivalent Mn(2) atoms to form a mixture of corner and edge-sharing OLi3Mn2 square pyramids. is represented by the CIF file [CIF]
data_Li5Mn5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   5.105
_cell_length_c   10.370
_cell_angle_alpha   85.638
_cell_angle_beta   82.371
_cell_angle_gamma   61.205
_symmetry_Int_Tables_number   1
_cell_volume   231.658
_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
  Li  Li0  1  0.041  0.322  0.793  1.0
  Li  Li1  1  0.637  0.311  0.209  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.363  0.689  0.791  1.0
  Li  Li4  1  0.959  0.678  0.207  1.0
  Mn  Mn5  1  0.836  0.333  0.500  1.0
  Mn  Mn6  1  0.337  0.325  0.000  1.0
  Mn  Mn7  1  0.663  0.675  1.000  1.0
  Mn  Mn8  1  0.164  0.667  0.500  1.0
  Mn  Mn9  1  0.500  0.000  0.500  1.0
  O  O10  1  0.962  0.369  0.104  1.0
  O  O11  1  0.663  0.376  0.895  1.0
  O  O12  1  0.890  0.640  0.397  1.0
  O  O13  1  0.525  0.343  0.403  1.0
  O  O14  1  0.475  0.657  0.597  1.0
  O  O15  1  0.815  0.995  0.593  1.0
  O  O16  1  0.110  0.360  0.603  1.0
  O  O17  1  0.337  0.624  0.105  1.0
  O  O18  1  0.631  0.997  0.102  1.0
  O  O19  1  0.038  0.631  0.896  1.0
  O  O20  1  0.369  0.003  0.898  1.0
  O  O21  1  0.185  0.005  0.407  1.0
[/CIF]
.
The crystal structure described by Li5Mn5O12 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(3)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-62°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(3)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-66°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O4 trigonal pyramids, corners with two equivalent Li(2)O4 trigonal pyramids, edges with six equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Li(2)O4 trigonal pyramids. There are three inequivalent Mn sites. In the first Mn site, Mn(1) 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 trigonal pyramids, corners with two equivalent Li(2)O4 trigonal pyramids, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O4 trigonal pyramids, corners with two equivalent Li(2)O4 trigonal pyramids, edges with three equivalent Li(3)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Li(2)O4 trigonal pyramids. 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 trigonal pyramids, corners with two equivalent Li(2)O4 trigonal pyramids, and edges with six equivalent Mn(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), and two equivalent Mn(2) atoms to form a mixture of corner and edge-sharing OLi3Mn2 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), and two equivalent Mn(2) atoms to form a mixture of corner and edge-sharing OLi3Mn2 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(3), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(3), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), and two equivalent Mn(2) atoms to form a mixture of corner and edge-sharing OLi3Mn2 square pyramids. is represented by the CIF file [CIF]
data_Li5Mn5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   5.105
_cell_length_c   10.370
_cell_angle_alpha   85.638
_cell_angle_beta   82.371
_cell_angle_gamma   61.205
_symmetry_Int_Tables_number   1
_cell_volume   231.658
_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
  Li  Li0  1  0.041  0.322  0.793  1.0
  Li  Li1  1  0.637  0.311  0.209  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.363  0.689  0.791  1.0
  Li  Li4  1  0.959  0.678  0.207  1.0
  Mn  Mn5  1  0.836  0.333  0.500  1.0
  Mn  Mn6  1  0.337  0.325  0.000  1.0
  Mn  Mn7  1  0.663  0.675  1.000  1.0
  Mn  Mn8  1  0.164  0.667  0.500  1.0
  Mn  Mn9  1  0.500  0.000  0.500  1.0
  O  O10  1  0.962  0.369  0.104  1.0
  O  O11  1  0.663  0.376  0.895  1.0
  O  O12  1  0.890  0.640  0.397  1.0
  O  O13  1  0.525  0.343  0.403  1.0
  O  O14  1  0.475  0.657  0.597  1.0
  O  O15  1  0.815  0.995  0.593  1.0
  O  O16  1  0.110  0.360  0.603  1.0
  O  O17  1  0.337  0.624  0.105  1.0
  O  O18  1  0.631  0.997  0.102  1.0
  O  O19  1  0.038  0.631  0.896  1.0
  O  O20  1  0.369  0.003  0.898  1.0
  O  O21  1  0.185  0.005  0.407  1.0
[/CIF]
.