The compound described by Li7Mn5O12 crystallizes in the monoclinic C2/m space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second Li site, Li(2) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the third Li site, Li(3) is bonded to one O(1), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the fourth Li site, Li(4) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(8) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the fifth Li site, Li(5) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(7) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are five inequivalent Mn sites. In the first Mn site, Mn(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the second Mn site, Mn(4) is bonded to two equivalent O(2) and four equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Li(5)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the third Mn site, Mn(5) is bonded to two equivalent O(1) and four equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the fourth Mn site, Mn(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the fifth Mn site, Mn(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are eight inequivalent O sites. In the first O site, O(7) is bonded to one Li(3), two equivalent Li(5), one Mn(2), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(8)Li3Mn3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with three equivalent O(7)Li3Mn3 octahedra, and edges with three equivalent O(6)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(8) is bonded to one Li(2), two equivalent Li(4), one Mn(1), one Mn(3), and one Mn(5) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(8)Li3Mn3 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(2)Li3Mn3 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with three equivalent O(8)Li3Mn3 octahedra, and edges with three equivalent O(5)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(1) is bonded to one Li(3), two equivalent Li(4), one Mn(5), and two equivalent Mn(3) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra, corners with two equivalent O(8)Li3Mn3 octahedra, corners with two equivalent O(6)Li4Mn2 octahedra,  an edgeedge with one O(2)Li3Mn3 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, edges with two equivalent O(6)Li4Mn2 octahedra, and edges with four equivalent O(8)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(2) is bonded to one Li(2), two equivalent Li(5), one Mn(4), and two equivalent Mn(3) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra, corners with two equivalent O(7)Li3Mn3 octahedra, corners with two equivalent O(5)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, edges with two equivalent O(6)Li4Mn2 octahedra, and edges with four equivalent O(7)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fifth O site, O(3) is bonded to one Li(1), one Li(3), two equivalent Li(5), and two equivalent Mn(2) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra, corners with two equivalent O(7)Li3Mn3 octahedra, corners with two equivalent O(6)Li4Mn2 octahedra,  an edgeedge with one O(2)Li3Mn3 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, edges with four equivalent O(7)Li3Mn3 octahedra, and edges with four equivalent O(6)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), two equivalent Li(4), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra, corners with two equivalent O(8)Li3Mn3 octahedra, corners with two equivalent O(5)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(6)Li4Mn2 octahedra, edges with four equivalent O(8)Li3Mn3 octahedra, and edges with four equivalent O(5)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the seventh O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one Li(5), one Mn(1), and one Mn(3) atom to form distorted OLi4Mn2 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(8)Li3Mn3 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(2)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(6)Li4Mn2 octahedra, and edges with three equivalent O(8)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the eighth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Mn(2), and one Mn(3) atom to form distorted OLi4Mn2 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(8)Li3Mn3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(2)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, and edges with three equivalent O(7)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. is represented by the CIF card [CIF]
data_Li7Mn5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.324
_cell_length_b   6.504
_cell_length_c   6.504
_cell_angle_alpha   82.879
_cell_angle_beta   85.233
_cell_angle_gamma   85.232
_symmetry_Int_Tables_number   1
_cell_volume   222.099
_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  0.500  0.833  0.167  1.0
  Li  Li1  1  0.738  0.071  0.404  1.0
  Li  Li2  1  0.262  0.596  0.929  1.0
  Li  Li3  1  0.767  0.742  0.746  1.0
  Li  Li4  1  0.767  0.413  0.076  1.0
  Li  Li5  1  0.233  0.254  0.258  1.0
  Li  Li6  1  0.233  0.924  0.587  1.0
  Mn  Mn7  1  0.000  0.999  0.001  1.0
  Mn  Mn8  1  0.000  0.668  0.332  1.0
  Mn  Mn9  1  0.500  0.503  0.497  1.0
  Mn  Mn10  1  0.500  0.164  0.836  1.0
  Mn  Mn11  1  0.000  0.333  0.667  1.0
  O  O12  1  0.609  0.452  0.785  1.0
  O  O13  1  0.391  0.215  0.548  1.0
  O  O14  1  0.102  0.949  0.283  1.0
  O  O15  1  0.898  0.717  0.051  1.0
  O  O16  1  0.662  0.113  0.097  1.0
  O  O17  1  0.662  0.764  0.446  1.0
  O  O18  1  0.338  0.903  0.887  1.0
  O  O19  1  0.338  0.554  0.236  1.0
  O  O20  1  0.109  0.618  0.615  1.0
  O  O21  1  0.109  0.281  0.951  1.0
  O  O22  1  0.891  0.385  0.382  1.0
  O  O23  1  0.891  0.048  0.719  1.0
[/CIF]
.
The compound described by Li7Mn5O12 crystallizes in the monoclinic C2/m space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second Li site, Li(2) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the third Li site, Li(3) is bonded to one O(1), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the fourth Li site, Li(4) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(8) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the fifth Li site, Li(5) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(7) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are five inequivalent Mn sites. In the first Mn site, Mn(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the second Mn site, Mn(4) is bonded to two equivalent O(2) and four equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Li(5)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the third Mn site, Mn(5) is bonded to two equivalent O(1) and four equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the fourth Mn site, Mn(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the fifth Mn site, Mn(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are eight inequivalent O sites. In the first O site, O(7) is bonded to one Li(3), two equivalent Li(5), one Mn(2), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(8)Li3Mn3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with three equivalent O(7)Li3Mn3 octahedra, and edges with three equivalent O(6)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(8) is bonded to one Li(2), two equivalent Li(4), one Mn(1), one Mn(3), and one Mn(5) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(8)Li3Mn3 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(2)Li3Mn3 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with three equivalent O(8)Li3Mn3 octahedra, and edges with three equivalent O(5)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(1) is bonded to one Li(3), two equivalent Li(4), one Mn(5), and two equivalent Mn(3) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra, corners with two equivalent O(8)Li3Mn3 octahedra, corners with two equivalent O(6)Li4Mn2 octahedra,  an edgeedge with one O(2)Li3Mn3 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, edges with two equivalent O(6)Li4Mn2 octahedra, and edges with four equivalent O(8)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(2) is bonded to one Li(2), two equivalent Li(5), one Mn(4), and two equivalent Mn(3) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra, corners with two equivalent O(7)Li3Mn3 octahedra, corners with two equivalent O(5)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, edges with two equivalent O(6)Li4Mn2 octahedra, and edges with four equivalent O(7)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fifth O site, O(3) is bonded to one Li(1), one Li(3), two equivalent Li(5), and two equivalent Mn(2) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra, corners with two equivalent O(7)Li3Mn3 octahedra, corners with two equivalent O(6)Li4Mn2 octahedra,  an edgeedge with one O(2)Li3Mn3 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, edges with four equivalent O(7)Li3Mn3 octahedra, and edges with four equivalent O(6)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), two equivalent Li(4), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra, corners with two equivalent O(8)Li3Mn3 octahedra, corners with two equivalent O(5)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(6)Li4Mn2 octahedra, edges with four equivalent O(8)Li3Mn3 octahedra, and edges with four equivalent O(5)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the seventh O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one Li(5), one Mn(1), and one Mn(3) atom to form distorted OLi4Mn2 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(8)Li3Mn3 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(2)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with two equivalent O(6)Li4Mn2 octahedra, and edges with three equivalent O(8)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the eighth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Mn(2), and one Mn(3) atom to form distorted OLi4Mn2 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(8)Li3Mn3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(2)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra, and edges with three equivalent O(7)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. is represented by the CIF card [CIF]
data_Li7Mn5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.324
_cell_length_b   6.504
_cell_length_c   6.504
_cell_angle_alpha   82.879
_cell_angle_beta   85.233
_cell_angle_gamma   85.232
_symmetry_Int_Tables_number   1
_cell_volume   222.099
_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  0.500  0.833  0.167  1.0
  Li  Li1  1  0.738  0.071  0.404  1.0
  Li  Li2  1  0.262  0.596  0.929  1.0
  Li  Li3  1  0.767  0.742  0.746  1.0
  Li  Li4  1  0.767  0.413  0.076  1.0
  Li  Li5  1  0.233  0.254  0.258  1.0
  Li  Li6  1  0.233  0.924  0.587  1.0
  Mn  Mn7  1  0.000  0.999  0.001  1.0
  Mn  Mn8  1  0.000  0.668  0.332  1.0
  Mn  Mn9  1  0.500  0.503  0.497  1.0
  Mn  Mn10  1  0.500  0.164  0.836  1.0
  Mn  Mn11  1  0.000  0.333  0.667  1.0
  O  O12  1  0.609  0.452  0.785  1.0
  O  O13  1  0.391  0.215  0.548  1.0
  O  O14  1  0.102  0.949  0.283  1.0
  O  O15  1  0.898  0.717  0.051  1.0
  O  O16  1  0.662  0.113  0.097  1.0
  O  O17  1  0.662  0.764  0.446  1.0
  O  O18  1  0.338  0.903  0.887  1.0
  O  O19  1  0.338  0.554  0.236  1.0
  O  O20  1  0.109  0.618  0.615  1.0
  O  O21  1  0.109  0.281  0.951  1.0
  O  O22  1  0.891  0.385  0.382  1.0
  O  O23  1  0.891  0.048  0.719  1.0
[/CIF]
.