The material described by Li4MnCo2O7 is Caswellsilverite-derived structured and crystallizes in the monoclinic Cm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(8), two equivalent O(14), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent 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 3-11°. In the second Li site, Li(2) is bonded to one O(2), one O(9), two equivalent O(3), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)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 1-9°. In the third Li site, Li(3) is bonded to one O(10), one O(3), two equivalent O(4), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the fourth Li site, Li(4) is bonded to one O(11), one O(4), two equivalent O(10), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Li(8)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with three equivalent Li(8)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the fifth Li site, Li(5) is bonded to one O(12), one O(5), two equivalent O(11), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Li(8)O6 octahedra, corners with two equivalent Co(3)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 three equivalent Li(8)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the sixth Li site, Li(6) is bonded to one O(13), one O(6), two equivalent O(12), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with three equivalent Co(3)O6 octahedra, and edges with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the seventh Li site, Li(7) is bonded to one O(14), one O(7), two equivalent O(1), and two equivalent O(13) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the eighth Li site, Li(8) is bonded to one O(10), one O(6), two equivalent O(11), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(2), two equivalent O(1), and two equivalent O(14) atoms to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the second Mn site, Mn(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(9) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(14), one O(3), two equivalent O(2), and two equivalent O(8) atoms to form CoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Co site, Co(2) is bonded to one O(5), one O(9), two equivalent O(10), and two equivalent O(4) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the third Co site, Co(3) is bonded to one O(11), one O(7), two equivalent O(12), and two equivalent O(6) atoms to form CoO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the fourth Co site, Co(4) is bonded to one O(1), one O(12), two equivalent O(13), and two equivalent O(7) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, edges with three equivalent Li(6)O6 octahedra, and edges with three equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(7), two equivalent Mn(1), and one Co(4) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(12)Li3Co3 octahedra,  a cornercorner with one O(8)Li3MnCo2 octahedra, corners with two equivalent O(14)Li3Mn2Co octahedra, corners with two equivalent O(13)Li3MnCo2 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with three equivalent O(14)Li3Mn2Co octahedra, and edges with three equivalent O(13)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Mn(1), and two equivalent Co(1) atoms to form OLi3MnCo2 octahedra that share  a cornercorner with one O(9)Li3Mn2Co octahedra,  a cornercorner with one O(13)Li3MnCo2 octahedra, corners with two equivalent O(14)Li3Mn2Co octahedra, corners with two equivalent O(8)Li3MnCo2 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3Mn2Co octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with three equivalent O(14)Li3Mn2Co octahedra, and edges with three equivalent O(8)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(2), two equivalent Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(14)Li3Mn2Co octahedra,  a cornercorner with one O(10)Li4Co2 octahedra, corners with two equivalent O(9)Li3Mn2Co octahedra, corners with two equivalent O(8)Li3MnCo2 octahedra, edges with two equivalent O(3)Li3Mn2Co octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra, edges with three equivalent O(9)Li3Mn2Co octahedra, and edges with three equivalent O(8)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(3), one Mn(2), and two equivalent Co(2) atoms to form distorted OLi3MnCo2 octahedra that share  a cornercorner with one O(8)Li3MnCo2 octahedra,  a cornercorner with one O(11)Li5Co octahedra, corners with two equivalent O(9)Li3Mn2Co octahedra, corners with two equivalent O(10)Li4Co2 octahedra, edges with two equivalent O(3)Li3Mn2Co octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra, edges with two equivalent O(5)Li5Co octahedra, edges with three equivalent O(9)Li3Mn2Co octahedra, and edges with three equivalent O(10)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-17°. In the fifth O site, O(5) is bonded to one Li(5), two equivalent Li(4), two equivalent Li(8), and one Co(2) atom to form OLi5Co octahedra that share  a cornercorner with one O(12)Li3Co3 octahedra,  a cornercorner with one O(9)Li3Mn2Co octahedra, corners with two equivalent O(10)Li4Co2 octahedra, corners with two equivalent O(11)Li5Co octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra, edges with two equivalent O(6)Li4Co2 octahedra, edges with two equivalent O(5)Li5Co octahedra, edges with three equivalent O(10)Li4Co2 octahedra, and edges with three equivalent O(11)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the sixth O site, O(6) is bonded to one Li(6), one Li(8), two equivalent Li(5), and two equivalent Co(3) atoms to form OLi4Co2 octahedra that share  a cornercorner with one O(13)Li3MnCo2 octahedra,  a cornercorner with one O(10)Li4Co2 octahedra, corners with two equivalent O(12)Li3Co3 octahedra, corners with two equivalent O(11)Li5Co octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(6)Li4Co2 octahedra, edges with two equivalent O(5)Li5Co octahedra, edges with three equivalent O(12)Li3Co3 octahedra, and edges with three equivalent O(11)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the seventh O site, O(7) is bonded to one Li(7), two equivalent Li(6), one Co(3), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(14)Li3Mn2Co octahedra,  a cornercorner with one O(11)Li5Co octahedra, corners with two equivalent O(12)Li3Co3 octahedra, corners with two equivalent O(13)Li3MnCo2 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(6)Li4Co2 octahedra, edges with three equivalent O(12)Li3Co3 octahedra, and edges with three equivalent O(13)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the eighth O site, O(8) is bonded to one Li(1), two equivalent Li(2), one Mn(2), and two equivalent Co(1) atoms to form OLi3MnCo2 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(4)Li3MnCo2 octahedra, corners with two equivalent O(3)Li3Mn2Co octahedra, corners with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(14)Li3Mn2Co octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, edges with two equivalent O(8)Li3MnCo2 octahedra, edges with three equivalent O(3)Li3Mn2Co octahedra, and edges with three equivalent O(2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the ninth O site, O(9) is bonded to one Li(2), two equivalent Li(3), two equivalent Mn(2), and one Co(2) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(2)Li3MnCo2 octahedra,  a cornercorner with one O(5)Li5Co octahedra, corners with two equivalent O(3)Li3Mn2Co octahedra, corners with two equivalent O(4)Li3MnCo2 octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, edges with two equivalent O(8)Li3MnCo2 octahedra, edges with two equivalent O(10)Li4Co2 octahedra, edges with three equivalent O(3)Li3Mn2Co octahedra, and edges with three equivalent O(4)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the tenth O site, O(10) is bonded to one Li(3), one Li(8), two equivalent Li(4), and two equivalent Co(2) atoms to form OLi4Co2 octahedra that share  a cornercorner with one O(3)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li4Co2 octahedra, corners with two equivalent O(4)Li3MnCo2 octahedra, corners with two equivalent O(5)Li5Co octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, edges with two equivalent O(10)Li4Co2 octahedra, edges with two equivalent O(11)Li5Co octahedra, edges with three equivalent O(4)Li3MnCo2 octahedra, and edges with three equivalent O(5)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the eleventh O site, O(11) is bonded to one Li(4), two equivalent Li(5), two equivalent Li(8), and one Co(3) atom to form OLi5Co octahedra that share  a cornercorner with one O(7)Li3Co3 octahedra,  a cornercorner with one O(4)Li3MnCo2 octahedra, corners with two equivalent O(6)Li4Co2 octahedra, corners with two equivalent O(5)Li5Co octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(10)Li4Co2 octahedra, edges with two equivalent O(11)Li5Co octahedra, edges with three equivalent O(6)Li4Co2 octahedra, and edges with three equivalent O(5)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the twelfth O site, O(12) is bonded to one Li(5), two equivalent Li(6), one Co(4), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li5Co octahedra, corners with two equivalent O(7)Li3Co3 octahedra, corners with two equivalent O(6)Li4Co2 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(13)Li3MnCo2 octahedra, edges with two equivalent O(11)Li5Co octahedra, edges with three equivalent O(7)Li3Co3 octahedra, and edges with three equivalent O(6)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the thirteenth O site, O(13) is bonded to one Li(6), two equivalent Li(7), one Mn(1), and two equivalent Co(4) atoms to form OLi3MnCo2 octahedra that share  a cornercorner with one O(2)Li3MnCo2 octahedra,  a cornercorner with one O(6)Li4Co2 octahedra, corners with two equivalent O(7)Li3Co3 octahedra, corners with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(14)Li3Mn2Co octahedra, edges with two equivalent O(13)Li3MnCo2 octahedra, edges with three equivalent O(7)Li3Co3 octahedra, and edges with three equivalent O(1)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fourteenth O site, O(14) is bonded to one Li(7), two equivalent Li(1), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(7)Li3Co3 octahedra,  a cornercorner with one O(3)Li3Mn2Co octahedra, corners with two equivalent O(1)Li3Mn2Co octahedra, corners with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(14)Li3Mn2Co octahedra, edges with two equivalent O(13)Li3MnCo2 octahedra, edges with two equivalent O(8)Li3MnCo2 octahedra, edges with three equivalent O(1)Li3Mn2Co octahedra, and edges with three equivalent O(2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF card [CIF]
data_Li4MnCo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.126
_cell_length_b   5.126
_cell_length_c   17.624
_cell_angle_alpha   84.911
_cell_angle_beta   84.911
_cell_angle_gamma   33.021
_symmetry_Int_Tables_number   1
_cell_volume   251.228
_cell_formula_units_Z   2
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  0.289  0.289  0.924  1.0
  Li  Li1  1  0.851  0.851  0.786  1.0
  Li  Li2  1  0.432  0.432  0.635  1.0
  Li  Li3  1  0.993  0.993  0.496  1.0
  Li  Li4  1  0.577  0.577  0.360  1.0
  Li  Li5  1  0.148  0.148  0.221  1.0
  Li  Li6  1  0.711  0.711  0.078  1.0
  Li  Li7  1  0.279  0.279  0.428  1.0
  Mn  Mn8  1  1.000  1.000  0.001  1.0
  Mn  Mn9  1  0.144  0.144  0.712  1.0
  Co  Co10  1  0.570  0.570  0.856  1.0
  Co  Co11  1  0.711  0.711  0.557  1.0
  Co  Co12  1  0.860  0.860  0.293  1.0
  Co  Co13  1  0.433  0.433  0.149  1.0
  O  O14  1  0.375  0.375  0.035  1.0
  O  O15  1  0.933  0.933  0.901  1.0
  O  O16  1  0.516  0.516  0.743  1.0
  O  O17  1  0.085  0.085  0.611  1.0
  O  O18  1  0.636  0.636  0.468  1.0
  O  O19  1  0.231  0.231  0.318  1.0
  O  O20  1  0.800  0.800  0.188  1.0
  O  O21  1  0.208  0.208  0.815  1.0
  O  O22  1  0.768  0.768  0.682  1.0
  O  O23  1  0.344  0.344  0.537  1.0
  O  O24  1  0.923  0.923  0.381  1.0
  O  O25  1  0.494  0.494  0.252  1.0
  O  O26  1  0.065  0.065  0.103  1.0
  O  O27  1  0.625  0.625  0.971  1.0
[/CIF]
.
The material described by Li4MnCo2O7 is Caswellsilverite-derived structured and crystallizes in the monoclinic Cm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(8), two equivalent O(14), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent 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 3-11°. In the second Li site, Li(2) is bonded to one O(2), one O(9), two equivalent O(3), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)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 1-9°. In the third Li site, Li(3) is bonded to one O(10), one O(3), two equivalent O(4), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the fourth Li site, Li(4) is bonded to one O(11), one O(4), two equivalent O(10), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Li(8)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with three equivalent Li(8)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the fifth Li site, Li(5) is bonded to one O(12), one O(5), two equivalent O(11), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Li(8)O6 octahedra, corners with two equivalent Co(3)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 three equivalent Li(8)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the sixth Li site, Li(6) is bonded to one O(13), one O(6), two equivalent O(12), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with three equivalent Co(3)O6 octahedra, and edges with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the seventh Li site, Li(7) is bonded to one O(14), one O(7), two equivalent O(1), and two equivalent O(13) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the eighth Li site, Li(8) is bonded to one O(10), one O(6), two equivalent O(11), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(2), two equivalent O(1), and two equivalent O(14) atoms to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the second Mn site, Mn(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(9) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(14), one O(3), two equivalent O(2), and two equivalent O(8) atoms to form CoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Co site, Co(2) is bonded to one O(5), one O(9), two equivalent O(10), and two equivalent O(4) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the third Co site, Co(3) is bonded to one O(11), one O(7), two equivalent O(12), and two equivalent O(6) atoms to form CoO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the fourth Co site, Co(4) is bonded to one O(1), one O(12), two equivalent O(13), and two equivalent O(7) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, edges with three equivalent Li(6)O6 octahedra, and edges with three equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(7), two equivalent Mn(1), and one Co(4) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(12)Li3Co3 octahedra,  a cornercorner with one O(8)Li3MnCo2 octahedra, corners with two equivalent O(14)Li3Mn2Co octahedra, corners with two equivalent O(13)Li3MnCo2 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with three equivalent O(14)Li3Mn2Co octahedra, and edges with three equivalent O(13)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Mn(1), and two equivalent Co(1) atoms to form OLi3MnCo2 octahedra that share  a cornercorner with one O(9)Li3Mn2Co octahedra,  a cornercorner with one O(13)Li3MnCo2 octahedra, corners with two equivalent O(14)Li3Mn2Co octahedra, corners with two equivalent O(8)Li3MnCo2 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3Mn2Co octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with three equivalent O(14)Li3Mn2Co octahedra, and edges with three equivalent O(8)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(2), two equivalent Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(14)Li3Mn2Co octahedra,  a cornercorner with one O(10)Li4Co2 octahedra, corners with two equivalent O(9)Li3Mn2Co octahedra, corners with two equivalent O(8)Li3MnCo2 octahedra, edges with two equivalent O(3)Li3Mn2Co octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra, edges with three equivalent O(9)Li3Mn2Co octahedra, and edges with three equivalent O(8)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(3), one Mn(2), and two equivalent Co(2) atoms to form distorted OLi3MnCo2 octahedra that share  a cornercorner with one O(8)Li3MnCo2 octahedra,  a cornercorner with one O(11)Li5Co octahedra, corners with two equivalent O(9)Li3Mn2Co octahedra, corners with two equivalent O(10)Li4Co2 octahedra, edges with two equivalent O(3)Li3Mn2Co octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra, edges with two equivalent O(5)Li5Co octahedra, edges with three equivalent O(9)Li3Mn2Co octahedra, and edges with three equivalent O(10)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-17°. In the fifth O site, O(5) is bonded to one Li(5), two equivalent Li(4), two equivalent Li(8), and one Co(2) atom to form OLi5Co octahedra that share  a cornercorner with one O(12)Li3Co3 octahedra,  a cornercorner with one O(9)Li3Mn2Co octahedra, corners with two equivalent O(10)Li4Co2 octahedra, corners with two equivalent O(11)Li5Co octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra, edges with two equivalent O(6)Li4Co2 octahedra, edges with two equivalent O(5)Li5Co octahedra, edges with three equivalent O(10)Li4Co2 octahedra, and edges with three equivalent O(11)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the sixth O site, O(6) is bonded to one Li(6), one Li(8), two equivalent Li(5), and two equivalent Co(3) atoms to form OLi4Co2 octahedra that share  a cornercorner with one O(13)Li3MnCo2 octahedra,  a cornercorner with one O(10)Li4Co2 octahedra, corners with two equivalent O(12)Li3Co3 octahedra, corners with two equivalent O(11)Li5Co octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(6)Li4Co2 octahedra, edges with two equivalent O(5)Li5Co octahedra, edges with three equivalent O(12)Li3Co3 octahedra, and edges with three equivalent O(11)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the seventh O site, O(7) is bonded to one Li(7), two equivalent Li(6), one Co(3), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(14)Li3Mn2Co octahedra,  a cornercorner with one O(11)Li5Co octahedra, corners with two equivalent O(12)Li3Co3 octahedra, corners with two equivalent O(13)Li3MnCo2 octahedra, edges with two equivalent O(7)Li3Co3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(6)Li4Co2 octahedra, edges with three equivalent O(12)Li3Co3 octahedra, and edges with three equivalent O(13)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the eighth O site, O(8) is bonded to one Li(1), two equivalent Li(2), one Mn(2), and two equivalent Co(1) atoms to form OLi3MnCo2 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(4)Li3MnCo2 octahedra, corners with two equivalent O(3)Li3Mn2Co octahedra, corners with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(14)Li3Mn2Co octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, edges with two equivalent O(8)Li3MnCo2 octahedra, edges with three equivalent O(3)Li3Mn2Co octahedra, and edges with three equivalent O(2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the ninth O site, O(9) is bonded to one Li(2), two equivalent Li(3), two equivalent Mn(2), and one Co(2) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(2)Li3MnCo2 octahedra,  a cornercorner with one O(5)Li5Co octahedra, corners with two equivalent O(3)Li3Mn2Co octahedra, corners with two equivalent O(4)Li3MnCo2 octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, edges with two equivalent O(8)Li3MnCo2 octahedra, edges with two equivalent O(10)Li4Co2 octahedra, edges with three equivalent O(3)Li3Mn2Co octahedra, and edges with three equivalent O(4)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the tenth O site, O(10) is bonded to one Li(3), one Li(8), two equivalent Li(4), and two equivalent Co(2) atoms to form OLi4Co2 octahedra that share  a cornercorner with one O(3)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li4Co2 octahedra, corners with two equivalent O(4)Li3MnCo2 octahedra, corners with two equivalent O(5)Li5Co octahedra, edges with two equivalent O(9)Li3Mn2Co octahedra, edges with two equivalent O(10)Li4Co2 octahedra, edges with two equivalent O(11)Li5Co octahedra, edges with three equivalent O(4)Li3MnCo2 octahedra, and edges with three equivalent O(5)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the eleventh O site, O(11) is bonded to one Li(4), two equivalent Li(5), two equivalent Li(8), and one Co(3) atom to form OLi5Co octahedra that share  a cornercorner with one O(7)Li3Co3 octahedra,  a cornercorner with one O(4)Li3MnCo2 octahedra, corners with two equivalent O(6)Li4Co2 octahedra, corners with two equivalent O(5)Li5Co octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(10)Li4Co2 octahedra, edges with two equivalent O(11)Li5Co octahedra, edges with three equivalent O(6)Li4Co2 octahedra, and edges with three equivalent O(5)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the twelfth O site, O(12) is bonded to one Li(5), two equivalent Li(6), one Co(4), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li5Co octahedra, corners with two equivalent O(7)Li3Co3 octahedra, corners with two equivalent O(6)Li4Co2 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(13)Li3MnCo2 octahedra, edges with two equivalent O(11)Li5Co octahedra, edges with three equivalent O(7)Li3Co3 octahedra, and edges with three equivalent O(6)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the thirteenth O site, O(13) is bonded to one Li(6), two equivalent Li(7), one Mn(1), and two equivalent Co(4) atoms to form OLi3MnCo2 octahedra that share  a cornercorner with one O(2)Li3MnCo2 octahedra,  a cornercorner with one O(6)Li4Co2 octahedra, corners with two equivalent O(7)Li3Co3 octahedra, corners with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(14)Li3Mn2Co octahedra, edges with two equivalent O(13)Li3MnCo2 octahedra, edges with three equivalent O(7)Li3Co3 octahedra, and edges with three equivalent O(1)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fourteenth O site, O(14) is bonded to one Li(7), two equivalent Li(1), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(7)Li3Co3 octahedra,  a cornercorner with one O(3)Li3Mn2Co octahedra, corners with two equivalent O(1)Li3Mn2Co octahedra, corners with two equivalent O(2)Li3MnCo2 octahedra, edges with two equivalent O(14)Li3Mn2Co octahedra, edges with two equivalent O(13)Li3MnCo2 octahedra, edges with two equivalent O(8)Li3MnCo2 octahedra, edges with three equivalent O(1)Li3Mn2Co octahedra, and edges with three equivalent O(2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF card [CIF]
data_Li4MnCo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.126
_cell_length_b   5.126
_cell_length_c   17.624
_cell_angle_alpha   84.911
_cell_angle_beta   84.911
_cell_angle_gamma   33.021
_symmetry_Int_Tables_number   1
_cell_volume   251.228
_cell_formula_units_Z   2
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  0.289  0.289  0.924  1.0
  Li  Li1  1  0.851  0.851  0.786  1.0
  Li  Li2  1  0.432  0.432  0.635  1.0
  Li  Li3  1  0.993  0.993  0.496  1.0
  Li  Li4  1  0.577  0.577  0.360  1.0
  Li  Li5  1  0.148  0.148  0.221  1.0
  Li  Li6  1  0.711  0.711  0.078  1.0
  Li  Li7  1  0.279  0.279  0.428  1.0
  Mn  Mn8  1  1.000  1.000  0.001  1.0
  Mn  Mn9  1  0.144  0.144  0.712  1.0
  Co  Co10  1  0.570  0.570  0.856  1.0
  Co  Co11  1  0.711  0.711  0.557  1.0
  Co  Co12  1  0.860  0.860  0.293  1.0
  Co  Co13  1  0.433  0.433  0.149  1.0
  O  O14  1  0.375  0.375  0.035  1.0
  O  O15  1  0.933  0.933  0.901  1.0
  O  O16  1  0.516  0.516  0.743  1.0
  O  O17  1  0.085  0.085  0.611  1.0
  O  O18  1  0.636  0.636  0.468  1.0
  O  O19  1  0.231  0.231  0.318  1.0
  O  O20  1  0.800  0.800  0.188  1.0
  O  O21  1  0.208  0.208  0.815  1.0
  O  O22  1  0.768  0.768  0.682  1.0
  O  O23  1  0.344  0.344  0.537  1.0
  O  O24  1  0.923  0.923  0.381  1.0
  O  O25  1  0.494  0.494  0.252  1.0
  O  O26  1  0.065  0.065  0.103  1.0
  O  O27  1  0.625  0.625  0.971  1.0
[/CIF]
.