The crystal structure described by Li7Mn2(CoO4)3 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(12), one O(4), one O(5), and one O(6) atom 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and edges with three equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(3), one O(7), one O(8), and one O(9) atom 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and edges with three equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(5), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. In the sixth Li site, Li(6) is bonded to one O(1), one O(11), one O(12), one O(4), one O(5), and one O(6) atom 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the seventh Li site, Li(7) is bonded to one O(10), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) 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,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-19°. In the second Mn site, Mn(2) 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,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. There are three inequivalent Co sites. In the first Co site, Co(1) 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 CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-16°. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the third Co site, Co(3) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Li(6), one Mn(1), one Mn(2), and one Co(1) atom to form distorted OLi3Mn2Co octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(7)Li3Mn2Co octahedra,  a cornercorner with one O(8)Li3Mn2Co octahedra,  a cornercorner with one O(11)Li4Co2 octahedra,  a cornercorner with one O(12)Li4Co2 octahedra,  a cornercorner with one O(4)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(8)Li3Mn2Co octahedra,  an edgeedge with one O(11)Li4Co2 octahedra,  an edgeedge with one O(12)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Co2 octahedra, and edges with three equivalent O(6)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the second O site, O(2) is bonded to one Li(3), one Li(5), one Li(7), one Mn(1), one Mn(2), and one Co(1) atom to form distorted OLi3Mn2Co octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(10)Li4Co2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(6)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra, edges with three equivalent O(7)Li3Mn2Co octahedra, and edges with three equivalent O(8)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(7)Li3Mn2Co octahedra,  a cornercorner with one O(8)Li3Mn2Co octahedra,  a cornercorner with one O(11)Li4Co2 octahedra,  a cornercorner with one O(12)Li4Co2 octahedra,  a cornercorner with one O(4)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(8)Li3Mn2Co octahedra,  an edgeedge with one O(11)Li4Co2 octahedra,  an edgeedge with one O(12)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Co2 octahedra, edges with three equivalent O(10)Li4Co2 octahedra, and edges with three equivalent O(9)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Li(6), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(10)Li4Co2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(6)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra, edges with three equivalent O(11)Li4Co2 octahedra, and edges with three equivalent O(12)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), one Li(6), one Mn(1), one Mn(2), and one Co(1) atom. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Li(6), one Mn(1), one Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(7)Li3Mn2Co octahedra,  a cornercorner with one O(8)Li3Mn2Co octahedra,  a cornercorner with one O(11)Li4Co2 octahedra,  a cornercorner with one O(12)Li4Co2 octahedra,  a cornercorner with one O(4)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(8)Li3Mn2Co octahedra,  an edgeedge with one O(11)Li4Co2 octahedra,  an edgeedge with one O(12)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Co2 octahedra, and edges with three equivalent O(1)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the seventh O site, O(7) is bonded to one Li(3), one Li(5), one Li(7), one Mn(1), one Mn(2), and one Co(1) atom to form distorted OLi3Mn2Co octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(10)Li4Co2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(6)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra, edges with three equivalent O(2)Li3Mn2Co octahedra, and edges with three equivalent O(8)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the eighth O site, O(8) is bonded to one Li(3), one Li(5), one Li(7), one Mn(1), one Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(10)Li4Co2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(6)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra, edges with three equivalent O(2)Li3Mn2Co octahedra, and edges with three equivalent O(7)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(7)Li3Mn2Co octahedra,  a cornercorner with one O(8)Li3Mn2Co octahedra,  a cornercorner with one O(11)Li4Co2 octahedra,  a cornercorner with one O(12)Li4Co2 octahedra,  a cornercorner with one O(4)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(8)Li3Mn2Co octahedra,  an edgeedge with one O(11)Li4Co2 octahedra,  an edgeedge with one O(12)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Co2 octahedra, edges with three equivalent O(10)Li4Co2 octahedra, and edges with three equivalent O(3)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(7)Li3Mn2Co octahedra,  a cornercorner with one O(8)Li3Mn2Co octahedra,  a cornercorner with one O(11)Li4Co2 octahedra,  a cornercorner with one O(12)Li4Co2 octahedra,  a cornercorner with one O(4)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(8)Li3Mn2Co octahedra,  an edgeedge with one O(11)Li4Co2 octahedra,  an edgeedge with one O(12)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Co2 octahedra, edges with three equivalent O(3)Li4Co2 octahedra, and edges with three equivalent O(9)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one Li(4), one Li(6), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(10)Li4Co2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(6)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra, edges with three equivalent O(12)Li4Co2 octahedra, and edges with three equivalent O(4)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Li(4), one Li(6), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(10)Li4Co2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(6)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra, edges with three equivalent O(11)Li4Co2 octahedra, and edges with three equivalent O(4)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-18°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Mn2(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.050
_cell_length_b   4.975
_cell_length_c   9.822
_cell_angle_alpha   92.484
_cell_angle_beta   94.981
_cell_angle_gamma   117.815
_symmetry_Int_Tables_number   1
_cell_volume   216.423
_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  0.830  0.165  0.500  1.0
  Li  Li1  1  0.091  0.431  0.276  1.0
  Li  Li2  1  0.571  0.909  0.725  1.0
  Li  Li3  1  0.453  0.104  0.275  1.0
  Li  Li4  1  0.902  0.558  0.728  1.0
  Li  Li5  1  0.748  0.756  0.267  1.0
  Li  Li6  1  0.234  0.242  0.730  1.0
  Mn  Mn7  1  0.000  0.000  0.000  1.0
  Mn  Mn8  1  0.662  0.336  1.000  1.0
  Co  Co9  1  0.334  0.666  1.000  1.0
  Co  Co10  1  0.518  0.500  0.503  1.0
  Co  Co11  1  0.157  0.829  0.498  1.0
  O  O12  1  0.686  0.019  0.105  1.0
  O  O13  1  0.974  0.317  0.895  1.0
  O  O14  1  0.216  0.575  0.613  1.0
  O  O15  1  0.439  0.770  0.387  1.0
  O  O16  1  0.023  0.680  0.102  1.0
  O  O17  1  0.396  0.387  0.112  1.0
  O  O18  1  0.313  0.983  0.897  1.0
  O  O19  1  0.604  0.613  0.888  1.0
  O  O20  1  0.534  0.225  0.622  1.0
  O  O21  1  0.884  0.864  0.615  1.0
  O  O22  1  0.793  0.469  0.380  1.0
  O  O23  1  0.137  0.101  0.383  1.0
[/CIF]
.
The crystal structure described by Li7Mn2(CoO4)3 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(12), one O(4), one O(5), and one O(6) atom 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and edges with three equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(3), one O(7), one O(8), and one O(9) atom 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and edges with three equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(5), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. In the sixth Li site, Li(6) is bonded to one O(1), one O(11), one O(12), one O(4), one O(5), and one O(6) atom 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the seventh Li site, Li(7) is bonded to one O(10), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) 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,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-19°. In the second Mn site, Mn(2) 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,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. There are three inequivalent Co sites. In the first Co site, Co(1) 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 CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-16°. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the third Co site, Co(3) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Li(6), one Mn(1), one Mn(2), and one Co(1) atom to form distorted OLi3Mn2Co octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(7)Li3Mn2Co octahedra,  a cornercorner with one O(8)Li3Mn2Co octahedra,  a cornercorner with one O(11)Li4Co2 octahedra,  a cornercorner with one O(12)Li4Co2 octahedra,  a cornercorner with one O(4)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(8)Li3Mn2Co octahedra,  an edgeedge with one O(11)Li4Co2 octahedra,  an edgeedge with one O(12)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Co2 octahedra, and edges with three equivalent O(6)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the second O site, O(2) is bonded to one Li(3), one Li(5), one Li(7), one Mn(1), one Mn(2), and one Co(1) atom to form distorted OLi3Mn2Co octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(10)Li4Co2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(6)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra, edges with three equivalent O(7)Li3Mn2Co octahedra, and edges with three equivalent O(8)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(7)Li3Mn2Co octahedra,  a cornercorner with one O(8)Li3Mn2Co octahedra,  a cornercorner with one O(11)Li4Co2 octahedra,  a cornercorner with one O(12)Li4Co2 octahedra,  a cornercorner with one O(4)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(8)Li3Mn2Co octahedra,  an edgeedge with one O(11)Li4Co2 octahedra,  an edgeedge with one O(12)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Co2 octahedra, edges with three equivalent O(10)Li4Co2 octahedra, and edges with three equivalent O(9)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Li(6), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(10)Li4Co2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(6)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra, edges with three equivalent O(11)Li4Co2 octahedra, and edges with three equivalent O(12)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), one Li(6), one Mn(1), one Mn(2), and one Co(1) atom. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Li(6), one Mn(1), one Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(7)Li3Mn2Co octahedra,  a cornercorner with one O(8)Li3Mn2Co octahedra,  a cornercorner with one O(11)Li4Co2 octahedra,  a cornercorner with one O(12)Li4Co2 octahedra,  a cornercorner with one O(4)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(8)Li3Mn2Co octahedra,  an edgeedge with one O(11)Li4Co2 octahedra,  an edgeedge with one O(12)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Co2 octahedra, and edges with three equivalent O(1)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the seventh O site, O(7) is bonded to one Li(3), one Li(5), one Li(7), one Mn(1), one Mn(2), and one Co(1) atom to form distorted OLi3Mn2Co octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(10)Li4Co2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(6)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra, edges with three equivalent O(2)Li3Mn2Co octahedra, and edges with three equivalent O(8)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the eighth O site, O(8) is bonded to one Li(3), one Li(5), one Li(7), one Mn(1), one Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(10)Li4Co2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(6)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra, edges with three equivalent O(2)Li3Mn2Co octahedra, and edges with three equivalent O(7)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(7)Li3Mn2Co octahedra,  a cornercorner with one O(8)Li3Mn2Co octahedra,  a cornercorner with one O(11)Li4Co2 octahedra,  a cornercorner with one O(12)Li4Co2 octahedra,  a cornercorner with one O(4)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(8)Li3Mn2Co octahedra,  an edgeedge with one O(11)Li4Co2 octahedra,  an edgeedge with one O(12)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Co2 octahedra, edges with three equivalent O(10)Li4Co2 octahedra, and edges with three equivalent O(3)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(7)Li3Mn2Co octahedra,  a cornercorner with one O(8)Li3Mn2Co octahedra,  a cornercorner with one O(11)Li4Co2 octahedra,  a cornercorner with one O(12)Li4Co2 octahedra,  a cornercorner with one O(4)Li4Co2 octahedra,  an edgeedge with one O(2)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn2Co octahedra,  an edgeedge with one O(8)Li3Mn2Co octahedra,  an edgeedge with one O(11)Li4Co2 octahedra,  an edgeedge with one O(12)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Co2 octahedra, edges with three equivalent O(3)Li4Co2 octahedra, and edges with three equivalent O(9)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one Li(4), one Li(6), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(10)Li4Co2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(6)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra, edges with three equivalent O(12)Li4Co2 octahedra, and edges with three equivalent O(4)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Li(4), one Li(6), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(10)Li4Co2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(6)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(9)Li4Co2 octahedra, edges with three equivalent O(11)Li4Co2 octahedra, and edges with three equivalent O(4)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-18°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Mn2(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.050
_cell_length_b   4.975
_cell_length_c   9.822
_cell_angle_alpha   92.484
_cell_angle_beta   94.981
_cell_angle_gamma   117.815
_symmetry_Int_Tables_number   1
_cell_volume   216.423
_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  0.830  0.165  0.500  1.0
  Li  Li1  1  0.091  0.431  0.276  1.0
  Li  Li2  1  0.571  0.909  0.725  1.0
  Li  Li3  1  0.453  0.104  0.275  1.0
  Li  Li4  1  0.902  0.558  0.728  1.0
  Li  Li5  1  0.748  0.756  0.267  1.0
  Li  Li6  1  0.234  0.242  0.730  1.0
  Mn  Mn7  1  0.000  0.000  0.000  1.0
  Mn  Mn8  1  0.662  0.336  1.000  1.0
  Co  Co9  1  0.334  0.666  1.000  1.0
  Co  Co10  1  0.518  0.500  0.503  1.0
  Co  Co11  1  0.157  0.829  0.498  1.0
  O  O12  1  0.686  0.019  0.105  1.0
  O  O13  1  0.974  0.317  0.895  1.0
  O  O14  1  0.216  0.575  0.613  1.0
  O  O15  1  0.439  0.770  0.387  1.0
  O  O16  1  0.023  0.680  0.102  1.0
  O  O17  1  0.396  0.387  0.112  1.0
  O  O18  1  0.313  0.983  0.897  1.0
  O  O19  1  0.604  0.613  0.888  1.0
  O  O20  1  0.534  0.225  0.622  1.0
  O  O21  1  0.884  0.864  0.615  1.0
  O  O22  1  0.793  0.469  0.380  1.0
  O  O23  1  0.137  0.101  0.383  1.0
[/CIF]
.