The material structure described by Li7Mn4CoO12 is Caswellsilverite-derived 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 one O(7), one O(8), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)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 8-10°. In the second Li site, Li(2) is bonded to two equivalent O(11), two equivalent O(12), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the third Li site, Li(3) is bonded to two equivalent O(11), two equivalent O(12), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)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 8-9°. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)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(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the sixth Li site, Li(6) is bonded to one O(1), one O(2), one O(5), one O(7), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)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(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the seventh Li site, Li(7) is bonded to one O(1), one O(10), 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(4)O6 octahedra, corners with five equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the eighth Li site, Li(8) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with five equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), 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(5)O6 octahedra, corners with four equivalent Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)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(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(3), one O(4), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with five equivalent Li(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)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(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(12), one O(3), one O(4), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with five equivalent 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(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(11), two equivalent O(12), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Li(6)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the second Co site, Co(2) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(12) atoms to form CoO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Li(5), one Li(6), one Li(7), one Mn(1), and one Mn(3) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(12)Li3MnCo2 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra, corners with four equivalent O(7)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, and edges with two equivalent O(6)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the second O site, O(2) is bonded to one Li(4), one Li(5), one Li(6), one Li(8), one Mn(1), and one Mn(3) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(11)Li3MnCo2 octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra, corners with four equivalent O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, and edges with two equivalent O(6)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the third O site, O(3) is bonded to one Li(3), one Li(7), one Li(8), one Mn(2), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(5)Li5Mn octahedra, corners with four equivalent O(10)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, and edges with two equivalent O(12)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to one Li(2), one Li(7), one Li(8), one Mn(1), one Mn(2), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(6)Li5Mn octahedra, corners with four equivalent O(9)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra, edges with two equivalent O(10)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, and edges with two equivalent O(12)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth O site, O(5) is bonded to one Li(6), two equivalent Li(1), two equivalent Li(4), and one Mn(3) atom to form OLi5Mn octahedra that share  a cornercorner with one O(9)Li3Mn2Co octahedra,  a cornercorner with one O(3)Li3Mn3 octahedra, corners with four equivalent O(6)Li5Mn octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, and edges with two equivalent O(6)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the sixth O site, O(6) is bonded to one Li(5), two equivalent Li(1), two equivalent Li(4), and one Mn(1) atom to form OLi5Mn octahedra that share  a cornercorner with one O(10)Li3Mn2Co octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra, corners with four equivalent O(5)Li5Mn octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, and edges with two equivalent O(6)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the seventh O site, O(7) is bonded to one Li(1), one Li(5), one Li(6), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(8)Li3Mn3 octahedra,  a cornercorner with one O(12)Li3MnCo2 octahedra, corners with four equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, and edges with two equivalent O(6)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the eighth O site, O(8) is bonded to one Li(1), one Li(5), one Li(6), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(11)Li3MnCo2 octahedra, corners with four equivalent O(2)Li4Mn2 octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, and edges with two equivalent O(6)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the ninth O site, O(9) is bonded to one Li(6), one Li(7), one Li(8), one Mn(2), one Mn(4), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(9)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li5Mn octahedra, corners with four equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra, edges with two equivalent O(10)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, and edges with two equivalent O(12)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the tenth O site, O(10) is bonded to one Li(5), one Li(7), one Li(8), one Mn(2), one Mn(4), and one Co(2) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(10)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li5Mn octahedra, corners with four equivalent O(3)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, and edges with two equivalent O(12)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one Li(8), one Mn(2), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share  a cornercorner with one O(8)Li3Mn3 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra, corners with four equivalent O(11)Li3MnCo2 octahedra, edges with two equivalent O(10)Li3Mn2Co octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, and edges with four equivalent O(12)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Li(7), one Mn(4), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra, corners with four equivalent O(12)Li3MnCo2 octahedra, edges with two equivalent O(10)Li3Mn2Co octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, and edges with four equivalent O(11)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Mn4CoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.937
_cell_length_b   5.954
_cell_length_c   12.683
_cell_angle_alpha   76.806
_cell_angle_beta   88.795
_cell_angle_gamma   87.850
_symmetry_Int_Tables_number   1
_cell_volume   215.767
_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
  Co  Co0  1  0.000  0.667  0.667  1.0
  Li  Li1  1  0.500  0.667  0.167  1.0
  Li  Li2  1  1.000  0.167  0.667  1.0
  Li  Li3  1  0.500  0.167  0.167  1.0
  Li  Li4  1  0.992  0.479  0.018  1.0
  Li  Li5  1  0.008  0.855  0.316  1.0
  Li  Li6  1  0.501  0.334  0.832  1.0
  Li  Li7  1  0.499  1.000  0.501  1.0
  Mn  Mn8  1  0.013  0.002  0.007  1.0
  Mn  Mn9  1  0.987  0.331  0.326  1.0
  Mn  Mn10  1  0.498  0.832  0.832  1.0
  Mn  Mn11  1  0.502  0.501  0.501  1.0
  O  O12  1  0.498  0.222  1.000  1.0
  O  O13  1  0.502  0.111  0.333  1.0
  O  O14  1  0.039  0.068  0.842  1.0
  O  O15  1  0.961  0.266  0.492  1.0
  O  O16  1  0.998  0.412  0.179  1.0
  O  O17  1  0.002  0.921  0.154  1.0
  O  O18  1  0.474  0.555  0.337  1.0
  O  O19  1  0.526  0.779  0.996  1.0
  O  O20  1  0.041  0.737  0.509  1.0
  O  O21  1  0.959  0.596  0.825  1.0
  O  O22  1  0.468  0.893  0.671  1.0
  O  O23  1  0.532  0.440  0.662  1.0
[/CIF]
.
The material structure described by Li7Mn4CoO12 is Caswellsilverite-derived 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 one O(7), one O(8), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)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 8-10°. In the second Li site, Li(2) is bonded to two equivalent O(11), two equivalent O(12), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the third Li site, Li(3) is bonded to two equivalent O(11), two equivalent O(12), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)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 8-9°. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)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(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the sixth Li site, Li(6) is bonded to one O(1), one O(2), one O(5), one O(7), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)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(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the seventh Li site, Li(7) is bonded to one O(1), one O(10), 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(4)O6 octahedra, corners with five equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the eighth Li site, Li(8) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with five equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), 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(5)O6 octahedra, corners with four equivalent Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)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(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(3), one O(4), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with five equivalent Li(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)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(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(12), one O(3), one O(4), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with five equivalent 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(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(11), two equivalent O(12), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Li(6)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the second Co site, Co(2) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(12) atoms to form CoO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Li(5), one Li(6), one Li(7), one Mn(1), and one Mn(3) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(12)Li3MnCo2 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra, corners with four equivalent O(7)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, and edges with two equivalent O(6)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the second O site, O(2) is bonded to one Li(4), one Li(5), one Li(6), one Li(8), one Mn(1), and one Mn(3) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(11)Li3MnCo2 octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra, corners with four equivalent O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, and edges with two equivalent O(6)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the third O site, O(3) is bonded to one Li(3), one Li(7), one Li(8), one Mn(2), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(5)Li5Mn octahedra, corners with four equivalent O(10)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, and edges with two equivalent O(12)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to one Li(2), one Li(7), one Li(8), one Mn(1), one Mn(2), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(6)Li5Mn octahedra, corners with four equivalent O(9)Li3Mn2Co octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra, edges with two equivalent O(10)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, and edges with two equivalent O(12)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth O site, O(5) is bonded to one Li(6), two equivalent Li(1), two equivalent Li(4), and one Mn(3) atom to form OLi5Mn octahedra that share  a cornercorner with one O(9)Li3Mn2Co octahedra,  a cornercorner with one O(3)Li3Mn3 octahedra, corners with four equivalent O(6)Li5Mn octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, and edges with two equivalent O(6)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the sixth O site, O(6) is bonded to one Li(5), two equivalent Li(1), two equivalent Li(4), and one Mn(1) atom to form OLi5Mn octahedra that share  a cornercorner with one O(10)Li3Mn2Co octahedra,  a cornercorner with one O(4)Li3Mn3 octahedra, corners with four equivalent O(5)Li5Mn octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, and edges with two equivalent O(6)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the seventh O site, O(7) is bonded to one Li(1), one Li(5), one Li(6), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(8)Li3Mn3 octahedra,  a cornercorner with one O(12)Li3MnCo2 octahedra, corners with four equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, and edges with two equivalent O(6)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the eighth O site, O(8) is bonded to one Li(1), one Li(5), one Li(6), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(11)Li3MnCo2 octahedra, corners with four equivalent O(2)Li4Mn2 octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(9)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3Mn3 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, and edges with two equivalent O(6)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the ninth O site, O(9) is bonded to one Li(6), one Li(7), one Li(8), one Mn(2), one Mn(4), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(9)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li5Mn octahedra, corners with four equivalent O(4)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra, edges with two equivalent O(10)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, and edges with two equivalent O(12)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the tenth O site, O(10) is bonded to one Li(5), one Li(7), one Li(8), one Mn(2), one Mn(4), and one Co(2) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(10)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li5Mn octahedra, corners with four equivalent O(3)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(11)Li3MnCo2 octahedra, and edges with two equivalent O(12)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one Li(8), one Mn(2), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share  a cornercorner with one O(8)Li3Mn3 octahedra,  a cornercorner with one O(2)Li4Mn2 octahedra, corners with four equivalent O(11)Li3MnCo2 octahedra, edges with two equivalent O(10)Li3Mn2Co octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, and edges with four equivalent O(12)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Li(7), one Mn(4), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra, corners with four equivalent O(12)Li3MnCo2 octahedra, edges with two equivalent O(10)Li3Mn2Co octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, and edges with four equivalent O(11)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Mn4CoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.937
_cell_length_b   5.954
_cell_length_c   12.683
_cell_angle_alpha   76.806
_cell_angle_beta   88.795
_cell_angle_gamma   87.850
_symmetry_Int_Tables_number   1
_cell_volume   215.767
_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
  Co  Co0  1  0.000  0.667  0.667  1.0
  Li  Li1  1  0.500  0.667  0.167  1.0
  Li  Li2  1  1.000  0.167  0.667  1.0
  Li  Li3  1  0.500  0.167  0.167  1.0
  Li  Li4  1  0.992  0.479  0.018  1.0
  Li  Li5  1  0.008  0.855  0.316  1.0
  Li  Li6  1  0.501  0.334  0.832  1.0
  Li  Li7  1  0.499  1.000  0.501  1.0
  Mn  Mn8  1  0.013  0.002  0.007  1.0
  Mn  Mn9  1  0.987  0.331  0.326  1.0
  Mn  Mn10  1  0.498  0.832  0.832  1.0
  Mn  Mn11  1  0.502  0.501  0.501  1.0
  O  O12  1  0.498  0.222  1.000  1.0
  O  O13  1  0.502  0.111  0.333  1.0
  O  O14  1  0.039  0.068  0.842  1.0
  O  O15  1  0.961  0.266  0.492  1.0
  O  O16  1  0.998  0.412  0.179  1.0
  O  O17  1  0.002  0.921  0.154  1.0
  O  O18  1  0.474  0.555  0.337  1.0
  O  O19  1  0.526  0.779  0.996  1.0
  O  O20  1  0.041  0.737  0.509  1.0
  O  O21  1  0.959  0.596  0.825  1.0
  O  O22  1  0.468  0.893  0.671  1.0
  O  O23  1  0.532  0.440  0.662  1.0
[/CIF]
.