The material structure described by Li7Mn5O12 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to two O(2,2) and four O(1,1) atoms to form LiO6 octahedra that share corners with six Mn(2,2)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two Mn(2,2)O6 octahedra; edges with four equivalent Li(3)O6 octahedra; and edges with four Li(4,4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the second Li site, Li(2) is bonded to two equivalent O(5) and four O(4,4) atoms to form LiO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra; edges with two equivalent Li(2)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; edges with four Li(5,5)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Li site, Li(2) is bonded to two equivalent O(5) and four O(4,4) atoms to form LiO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra; edges with two equivalent Li(2)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; edges with four Li(5,5)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the fourth Li site, Li(3) is bonded to two O(1,1) and four O(2,2) atoms to form LiO6 octahedra that share corners with six Li(4,4)O6 octahedra; edges with two equivalent Li(3)O6 octahedra; edges with two Li(4,4)O6 octahedra; edges with four equivalent Li(1)O6 octahedra; and edges with four Mn(2,2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the fifth Li site, Li(4) is bonded to one O(1); one O(3); two O(2,2); and two O(6,6) atoms to form LiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra; corners with three equivalent Mn(3)O6 octahedra;  an edgeedge with one Li(3)O6 octahedra;  an edgeedge with one Mn(3)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two equivalent Li(4)O6 octahedra; edges with two Li(5,5)O6 octahedra; and edges with four Mn(2,2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the sixth Li site, Li(4) is bonded to one O(1); one O(3); two O(2,2); and two O(6,6) atoms to form LiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra; corners with three equivalent Mn(3)O6 octahedra;  an edgeedge with one Li(3)O6 octahedra;  an edgeedge with one Mn(3)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two equivalent Li(4)O6 octahedra; edges with two Li(5,5)O6 octahedra; and edges with four Mn(2,2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the seventh Li site, Li(5) is bonded to one O(4); one O(6); two O(3,3); and two O(5,5) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra; corners with three equivalent Mn(2)O6 octahedra;  an edgeedge with one Mn(1)O6 octahedra;  an edgeedge with one Mn(2)O6 octahedra; edges with two Li(2,2)O6 octahedra; edges with two Li(4,4)O6 octahedra; edges with two equivalent Li(5)O6 octahedra; and edges with four Mn(3,3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the eighth Li site, Li(5) is bonded to one O(4); one O(6); two O(3,3); and two O(5,5) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra; corners with three equivalent Mn(2)O6 octahedra;  an edgeedge with one Mn(1)O6 octahedra;  an edgeedge with one Mn(2)O6 octahedra; edges with two Li(2,2)O6 octahedra; edges with two Li(4,4)O6 octahedra; edges with two equivalent Li(5)O6 octahedra; and edges with four Mn(3,3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(4) and four O(5,5) atoms to form MnO6 octahedra that share corners with six equivalent Li(5)O6 octahedra; edges with two equivalent Li(5)O6 octahedra; edges with two equivalent Mn(1)O6 octahedra; edges with four Li(2,2)O6 octahedra; and edges with four Mn(3,3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Mn site, Mn(1) is bonded to two equivalent O(4) and four O(5,5) atoms to form MnO6 octahedra that share corners with six equivalent Li(5)O6 octahedra; edges with two equivalent Li(5)O6 octahedra; edges with two equivalent Mn(1)O6 octahedra; edges with four Li(2,2)O6 octahedra; and edges with four Mn(3,3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Mn site, Mn(2) is bonded to one O(2); one O(6); two O(1,1); and two O(3,3) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra; corners with three equivalent Li(5)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra;  an edgeedge with one Li(5)O6 octahedra; edges with two equivalent Li(3)O6 octahedra; edges with two equivalent Mn(2)O6 octahedra; edges with two Mn(3,3)O6 octahedra; and edges with four Li(4,4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the fourth Mn site, Mn(2) is bonded to one O(2); one O(6); two O(1,1); and two O(3,3) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra; corners with three equivalent Li(5)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra;  an edgeedge with one Li(5)O6 octahedra; edges with two equivalent Li(3)O6 octahedra; edges with two equivalent Mn(2)O6 octahedra; edges with two Mn(3,3)O6 octahedra; and edges with four Li(4,4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the fifth Mn site, Mn(3) is bonded to one O(3); one O(5); two O(4,4); and two O(6,6) atoms to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra; corners with three equivalent Li(4)O6 octahedra;  an edgeedge with one Li(2)O6 octahedra;  an edgeedge with one Li(4)O6 octahedra; edges with two Mn(1,1)O6 octahedra; edges with two Mn(2,2)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; and edges with four Li(5,5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the sixth Mn site, Mn(3) is bonded to one O(3); one O(5); two O(4,4); and two O(6,6) atoms to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra; corners with three equivalent Li(4)O6 octahedra;  an edgeedge with one Li(2)O6 octahedra;  an edgeedge with one Li(4)O6 octahedra; edges with two Mn(1,1)O6 octahedra; edges with two Mn(2,2)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; and edges with four Li(5,5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3); one Li(4); two equivalent Li(1); and two Mn(2,2) atoms to form OLi4Mn2 octahedra that share corners with three equivalent O(3)Li3Mn3 octahedra; corners with three equivalent O(1)Li4Mn2 octahedra;  an edgeedge with one O(3)Li3Mn3 octahedra; edges with two O(6,6)Li3Mn3 octahedra; edges with three O(1,1)Li4Mn2 octahedra; and edges with six O(2,2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(1) is bonded to one Li(3); one Li(4); two equivalent Li(1); and two Mn(2,2) atoms to form OLi4Mn2 octahedra that share corners with three equivalent O(3)Li3Mn3 octahedra; corners with three equivalent O(1)Li4Mn2 octahedra;  an edgeedge with one O(3)Li3Mn3 octahedra; edges with two O(6,6)Li3Mn3 octahedra; edges with three O(1,1)Li4Mn2 octahedra; and edges with six O(2,2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(2) is bonded to one Li(1); two equivalent Li(3); two Li(4,4); and one Mn(2) atom to form OLi5Mn octahedra that share corners with three equivalent O(6)Li3Mn3 octahedra; corners with three equivalent O(2)Li5Mn octahedra;  an edgeedge with one O(6)Li3Mn3 octahedra; edges with two O(3,3)Li3Mn3 octahedra; edges with three O(2,2)Li5Mn octahedra; and edges with six O(1,1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(2) is bonded to one Li(1); two equivalent Li(3); two Li(4,4); and one Mn(2) atom to form OLi5Mn octahedra that share corners with three equivalent O(6)Li3Mn3 octahedra; corners with three equivalent O(2)Li5Mn octahedra;  an edgeedge with one O(6)Li3Mn3 octahedra; edges with two O(3,3)Li3Mn3 octahedra; edges with three O(2,2)Li5Mn octahedra; and edges with six O(1,1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth O site, O(3) is bonded to one Li(4); two Li(5,5); one Mn(3); and two Mn(2,2) atoms to form OLi3Mn3 octahedra that share corners with three equivalent O(5)Li3Mn3 octahedra; corners with three equivalent O(1)Li4Mn2 octahedra;  an edgeedge with one O(5)Li3Mn3 octahedra;  an edgeedge with one O(1)Li4Mn2 octahedra; edges with two equivalent O(3)Li3Mn3 octahedra; edges with two O(4,4)Li3Mn3 octahedra; edges with two O(2,2)Li5Mn octahedra; and edges with four O(6,6)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the sixth O site, O(3) is bonded to one Li(4); two Li(5,5); one Mn(3); and two Mn(2,2) atoms to form OLi3Mn3 octahedra that share corners with three equivalent O(5)Li3Mn3 octahedra; corners with three equivalent O(1)Li4Mn2 octahedra;  an edgeedge with one O(5)Li3Mn3 octahedra;  an edgeedge with one O(1)Li4Mn2 octahedra; edges with two equivalent O(3)Li3Mn3 octahedra; edges with two O(4,4)Li3Mn3 octahedra; edges with two O(2,2)Li5Mn octahedra; and edges with four O(6,6)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the seventh O site, O(4) is bonded to one Li(5); two Li(2,2); one Mn(1); and two Mn(3,3) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the eighth O site, O(4) is bonded to one Li(5); two Li(2,2); one Mn(1); and two Mn(3,3) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the ninth O site, O(5) is bonded to one Li(2); two Li(5,5); one Mn(3); and two Mn(1,1) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the tenth O site, O(5) is bonded to one Li(2); two Li(5,5); one Mn(3); and two Mn(1,1) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the eleventh O site, O(6) is bonded to one Li(5); two Li(4,4); one Mn(2); and two Mn(3,3) atoms to form OLi3Mn3 octahedra that share corners with three equivalent O(4)Li3Mn3 octahedra; corners with three equivalent O(2)Li5Mn octahedra;  an edgeedge with one O(4)Li3Mn3 octahedra;  an edgeedge with one O(2)Li5Mn octahedra; edges with two O(5,5)Li3Mn3 octahedra; edges with two equivalent O(6)Li3Mn3 octahedra; edges with two O(1,1)Li4Mn2 octahedra; and edges with four O(3,3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the twelfth O site, O(6) is bonded to one Li(5); two Li(4,4); one Mn(2); and two Mn(3,3) atoms to form OLi3Mn3 octahedra that share corners with three equivalent O(4)Li3Mn3 octahedra; corners with three equivalent O(2)Li5Mn octahedra;  an edgeedge with one O(4)Li3Mn3 octahedra;  an edgeedge with one O(2)Li5Mn octahedra; edges with two O(5,5)Li3Mn3 octahedra; edges with two equivalent O(6)Li3Mn3 octahedra; edges with two O(1,1)Li4Mn2 octahedra; and edges with four O(3,3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. is represented by the CIF file [CIF]
data_Li7Mn5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.984
_cell_length_b   5.101
_cell_length_c   14.562
_cell_angle_alpha   87.612
_cell_angle_beta   86.407
_cell_angle_gamma   88.362
_symmetry_Int_Tables_number   1
_cell_volume   220.968
_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  1.000  0.333  0.167  1.0
  Li  Li1  1  0.500  0.833  0.667  1.0
  Li  Li2  1  0.500  0.833  0.167  1.0
  Li  Li3  1  0.474  0.157  0.326  1.0
  Li  Li4  1  0.526  0.509  0.007  1.0
  Li  Li5  1  0.998  0.007  0.501  1.0
  Li  Li6  1  0.002  0.660  0.832  1.0
  Mn  Mn7  1  0.000  0.333  0.667  1.0
  Mn  Mn8  1  0.025  0.993  0.007  1.0
  Mn  Mn9  1  0.975  0.673  0.326  1.0
  Mn  Mn10  1  0.473  0.495  0.497  1.0
  Mn  Mn11  1  0.527  0.171  0.836  1.0
  O  O12  1  0.501  0.146  0.074  1.0
  O  O13  1  0.498  0.521  0.260  1.0
  O  O14  1  0.989  0.978  0.257  1.0
  O  O15  1  0.011  0.689  0.077  1.0
  O  O16  1  0.450  0.800  0.407  1.0
  O  O17  1  0.550  0.866  0.926  1.0
  O  O18  1  0.018  0.648  0.583  1.0
  O  O19  1  0.982  0.019  0.750  1.0
  O  O20  1  0.542  0.487  0.752  1.0
  O  O21  1  0.458  0.180  0.582  1.0
  O  O22  1  0.059  0.312  0.918  1.0
  O  O23  1  0.941  0.354  0.416  1.0
[/CIF]
.
The material structure described by Li7Mn5O12 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to two O(2,2) and four O(1,1) atoms to form LiO6 octahedra that share corners with six Mn(2,2)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two Mn(2,2)O6 octahedra; edges with four equivalent Li(3)O6 octahedra; and edges with four Li(4,4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the second Li site, Li(2) is bonded to two equivalent O(5) and four O(4,4) atoms to form LiO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra; edges with two equivalent Li(2)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; edges with four Li(5,5)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Li site, Li(2) is bonded to two equivalent O(5) and four O(4,4) atoms to form LiO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra; edges with two equivalent Li(2)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; edges with four Li(5,5)O6 octahedra; and edges with four Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the fourth Li site, Li(3) is bonded to two O(1,1) and four O(2,2) atoms to form LiO6 octahedra that share corners with six Li(4,4)O6 octahedra; edges with two equivalent Li(3)O6 octahedra; edges with two Li(4,4)O6 octahedra; edges with four equivalent Li(1)O6 octahedra; and edges with four Mn(2,2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the fifth Li site, Li(4) is bonded to one O(1); one O(3); two O(2,2); and two O(6,6) atoms to form LiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra; corners with three equivalent Mn(3)O6 octahedra;  an edgeedge with one Li(3)O6 octahedra;  an edgeedge with one Mn(3)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two equivalent Li(4)O6 octahedra; edges with two Li(5,5)O6 octahedra; and edges with four Mn(2,2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the sixth Li site, Li(4) is bonded to one O(1); one O(3); two O(2,2); and two O(6,6) atoms to form LiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra; corners with three equivalent Mn(3)O6 octahedra;  an edgeedge with one Li(3)O6 octahedra;  an edgeedge with one Mn(3)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two equivalent Li(4)O6 octahedra; edges with two Li(5,5)O6 octahedra; and edges with four Mn(2,2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the seventh Li site, Li(5) is bonded to one O(4); one O(6); two O(3,3); and two O(5,5) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra; corners with three equivalent Mn(2)O6 octahedra;  an edgeedge with one Mn(1)O6 octahedra;  an edgeedge with one Mn(2)O6 octahedra; edges with two Li(2,2)O6 octahedra; edges with two Li(4,4)O6 octahedra; edges with two equivalent Li(5)O6 octahedra; and edges with four Mn(3,3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the eighth Li site, Li(5) is bonded to one O(4); one O(6); two O(3,3); and two O(5,5) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra; corners with three equivalent Mn(2)O6 octahedra;  an edgeedge with one Mn(1)O6 octahedra;  an edgeedge with one Mn(2)O6 octahedra; edges with two Li(2,2)O6 octahedra; edges with two Li(4,4)O6 octahedra; edges with two equivalent Li(5)O6 octahedra; and edges with four Mn(3,3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(4) and four O(5,5) atoms to form MnO6 octahedra that share corners with six equivalent Li(5)O6 octahedra; edges with two equivalent Li(5)O6 octahedra; edges with two equivalent Mn(1)O6 octahedra; edges with four Li(2,2)O6 octahedra; and edges with four Mn(3,3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Mn site, Mn(1) is bonded to two equivalent O(4) and four O(5,5) atoms to form MnO6 octahedra that share corners with six equivalent Li(5)O6 octahedra; edges with two equivalent Li(5)O6 octahedra; edges with two equivalent Mn(1)O6 octahedra; edges with four Li(2,2)O6 octahedra; and edges with four Mn(3,3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Mn site, Mn(2) is bonded to one O(2); one O(6); two O(1,1); and two O(3,3) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra; corners with three equivalent Li(5)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra;  an edgeedge with one Li(5)O6 octahedra; edges with two equivalent Li(3)O6 octahedra; edges with two equivalent Mn(2)O6 octahedra; edges with two Mn(3,3)O6 octahedra; and edges with four Li(4,4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the fourth Mn site, Mn(2) is bonded to one O(2); one O(6); two O(1,1); and two O(3,3) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra; corners with three equivalent Li(5)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra;  an edgeedge with one Li(5)O6 octahedra; edges with two equivalent Li(3)O6 octahedra; edges with two equivalent Mn(2)O6 octahedra; edges with two Mn(3,3)O6 octahedra; and edges with four Li(4,4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the fifth Mn site, Mn(3) is bonded to one O(3); one O(5); two O(4,4); and two O(6,6) atoms to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra; corners with three equivalent Li(4)O6 octahedra;  an edgeedge with one Li(2)O6 octahedra;  an edgeedge with one Li(4)O6 octahedra; edges with two Mn(1,1)O6 octahedra; edges with two Mn(2,2)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; and edges with four Li(5,5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the sixth Mn site, Mn(3) is bonded to one O(3); one O(5); two O(4,4); and two O(6,6) atoms to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra; corners with three equivalent Li(4)O6 octahedra;  an edgeedge with one Li(2)O6 octahedra;  an edgeedge with one Li(4)O6 octahedra; edges with two Mn(1,1)O6 octahedra; edges with two Mn(2,2)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; and edges with four Li(5,5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3); one Li(4); two equivalent Li(1); and two Mn(2,2) atoms to form OLi4Mn2 octahedra that share corners with three equivalent O(3)Li3Mn3 octahedra; corners with three equivalent O(1)Li4Mn2 octahedra;  an edgeedge with one O(3)Li3Mn3 octahedra; edges with two O(6,6)Li3Mn3 octahedra; edges with three O(1,1)Li4Mn2 octahedra; and edges with six O(2,2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(1) is bonded to one Li(3); one Li(4); two equivalent Li(1); and two Mn(2,2) atoms to form OLi4Mn2 octahedra that share corners with three equivalent O(3)Li3Mn3 octahedra; corners with three equivalent O(1)Li4Mn2 octahedra;  an edgeedge with one O(3)Li3Mn3 octahedra; edges with two O(6,6)Li3Mn3 octahedra; edges with three O(1,1)Li4Mn2 octahedra; and edges with six O(2,2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(2) is bonded to one Li(1); two equivalent Li(3); two Li(4,4); and one Mn(2) atom to form OLi5Mn octahedra that share corners with three equivalent O(6)Li3Mn3 octahedra; corners with three equivalent O(2)Li5Mn octahedra;  an edgeedge with one O(6)Li3Mn3 octahedra; edges with two O(3,3)Li3Mn3 octahedra; edges with three O(2,2)Li5Mn octahedra; and edges with six O(1,1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(2) is bonded to one Li(1); two equivalent Li(3); two Li(4,4); and one Mn(2) atom to form OLi5Mn octahedra that share corners with three equivalent O(6)Li3Mn3 octahedra; corners with three equivalent O(2)Li5Mn octahedra;  an edgeedge with one O(6)Li3Mn3 octahedra; edges with two O(3,3)Li3Mn3 octahedra; edges with three O(2,2)Li5Mn octahedra; and edges with six O(1,1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth O site, O(3) is bonded to one Li(4); two Li(5,5); one Mn(3); and two Mn(2,2) atoms to form OLi3Mn3 octahedra that share corners with three equivalent O(5)Li3Mn3 octahedra; corners with three equivalent O(1)Li4Mn2 octahedra;  an edgeedge with one O(5)Li3Mn3 octahedra;  an edgeedge with one O(1)Li4Mn2 octahedra; edges with two equivalent O(3)Li3Mn3 octahedra; edges with two O(4,4)Li3Mn3 octahedra; edges with two O(2,2)Li5Mn octahedra; and edges with four O(6,6)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the sixth O site, O(3) is bonded to one Li(4); two Li(5,5); one Mn(3); and two Mn(2,2) atoms to form OLi3Mn3 octahedra that share corners with three equivalent O(5)Li3Mn3 octahedra; corners with three equivalent O(1)Li4Mn2 octahedra;  an edgeedge with one O(5)Li3Mn3 octahedra;  an edgeedge with one O(1)Li4Mn2 octahedra; edges with two equivalent O(3)Li3Mn3 octahedra; edges with two O(4,4)Li3Mn3 octahedra; edges with two O(2,2)Li5Mn octahedra; and edges with four O(6,6)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the seventh O site, O(4) is bonded to one Li(5); two Li(2,2); one Mn(1); and two Mn(3,3) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the eighth O site, O(4) is bonded to one Li(5); two Li(2,2); one Mn(1); and two Mn(3,3) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the ninth O site, O(5) is bonded to one Li(2); two Li(5,5); one Mn(3); and two Mn(1,1) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the tenth O site, O(5) is bonded to one Li(2); two Li(5,5); one Mn(3); and two Mn(1,1) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the eleventh O site, O(6) is bonded to one Li(5); two Li(4,4); one Mn(2); and two Mn(3,3) atoms to form OLi3Mn3 octahedra that share corners with three equivalent O(4)Li3Mn3 octahedra; corners with three equivalent O(2)Li5Mn octahedra;  an edgeedge with one O(4)Li3Mn3 octahedra;  an edgeedge with one O(2)Li5Mn octahedra; edges with two O(5,5)Li3Mn3 octahedra; edges with two equivalent O(6)Li3Mn3 octahedra; edges with two O(1,1)Li4Mn2 octahedra; and edges with four O(3,3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the twelfth O site, O(6) is bonded to one Li(5); two Li(4,4); one Mn(2); and two Mn(3,3) atoms to form OLi3Mn3 octahedra that share corners with three equivalent O(4)Li3Mn3 octahedra; corners with three equivalent O(2)Li5Mn octahedra;  an edgeedge with one O(4)Li3Mn3 octahedra;  an edgeedge with one O(2)Li5Mn octahedra; edges with two O(5,5)Li3Mn3 octahedra; edges with two equivalent O(6)Li3Mn3 octahedra; edges with two O(1,1)Li4Mn2 octahedra; and edges with four O(3,3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. is represented by the CIF file [CIF]
data_Li7Mn5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.984
_cell_length_b   5.101
_cell_length_c   14.562
_cell_angle_alpha   87.612
_cell_angle_beta   86.407
_cell_angle_gamma   88.362
_symmetry_Int_Tables_number   1
_cell_volume   220.968
_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  1.000  0.333  0.167  1.0
  Li  Li1  1  0.500  0.833  0.667  1.0
  Li  Li2  1  0.500  0.833  0.167  1.0
  Li  Li3  1  0.474  0.157  0.326  1.0
  Li  Li4  1  0.526  0.509  0.007  1.0
  Li  Li5  1  0.998  0.007  0.501  1.0
  Li  Li6  1  0.002  0.660  0.832  1.0
  Mn  Mn7  1  0.000  0.333  0.667  1.0
  Mn  Mn8  1  0.025  0.993  0.007  1.0
  Mn  Mn9  1  0.975  0.673  0.326  1.0
  Mn  Mn10  1  0.473  0.495  0.497  1.0
  Mn  Mn11  1  0.527  0.171  0.836  1.0
  O  O12  1  0.501  0.146  0.074  1.0
  O  O13  1  0.498  0.521  0.260  1.0
  O  O14  1  0.989  0.978  0.257  1.0
  O  O15  1  0.011  0.689  0.077  1.0
  O  O16  1  0.450  0.800  0.407  1.0
  O  O17  1  0.550  0.866  0.926  1.0
  O  O18  1  0.018  0.648  0.583  1.0
  O  O19  1  0.982  0.019  0.750  1.0
  O  O20  1  0.542  0.487  0.752  1.0
  O  O21  1  0.458  0.180  0.582  1.0
  O  O22  1  0.059  0.312  0.918  1.0
  O  O23  1  0.941  0.354  0.416  1.0
[/CIF]
.