The compound described by Li4MnCo2O7 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)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 Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the fourth Li site, Li(4) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the fifth Li site, Li(5) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)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, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(5)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 two equivalent Mn(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Mn(1), and one Co(1) atom to form OLi4MnCo octahedra that share corners with two equivalent O(2)Li3Co3 octahedra, corners with four equivalent O(3)Li4MnCo octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(3)Li4MnCo octahedra, edges with four equivalent O(1)Li3MnCo2 octahedra, and edges with four equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(4) is bonded to one Li(4), one Li(5), two equivalent Li(3), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share corners with two equivalent O(4)Li4Mn2 octahedra, corners with four equivalent O(1)Li3MnCo2 octahedra, edges with two equivalent O(1)Li3MnCo2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, and edges with eight equivalent O(3)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share corners with two equivalent O(2)Li3Co3 octahedra, corners with two equivalent O(1)Li3MnCo2 octahedra, corners with two equivalent O(4)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(1)Li3MnCo2 octahedra, edges with four equivalent O(3)Li4MnCo octahedra, and edges with five equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(2) is bonded to one Li(1), two equivalent Li(2), one Co(1), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share corners with two equivalent O(2)Li3Co3 octahedra, corners with two equivalent O(1)Li3MnCo2 octahedra, corners with two equivalent O(3)Li4MnCo octahedra,  an edgeedge with one O(3)Li4MnCo octahedra, edges with five equivalent O(1)Li3MnCo2 octahedra, and edges with six equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the CIF card [CIF]
data_Li4MnCo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.255
_cell_length_b   10.255
_cell_length_c   5.175
_cell_angle_alpha   84.553
_cell_angle_beta   84.553
_cell_angle_gamma   150.728
_symmetry_Int_Tables_number   1
_cell_volume   246.613
_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  0.857  0.143  0.500  1.0
  Li  Li1  1  0.285  0.715  0.500  1.0
  Li  Li2  1  0.715  0.285  0.500  1.0
  Li  Li3  1  0.143  0.857  0.500  1.0
  Li  Li4  1  0.570  0.430  0.500  1.0
  Li  Li5  1  0.000  0.000  0.500  1.0
  Li  Li6  1  0.430  0.570  0.500  1.0
  Li  Li7  1  0.500  0.500  0.000  1.0
  Mn  Mn8  1  0.928  0.072  0.000  1.0
  Mn  Mn9  1  0.072  0.928  0.000  1.0
  Co  Co10  1  0.357  0.643  0.000  1.0
  Co  Co11  1  0.785  0.215  0.000  1.0
  Co  Co12  1  0.215  0.785  0.000  1.0
  Co  Co13  1  0.643  0.357  0.000  1.0
  O  O14  1  0.629  0.915  0.233  1.0
  O  O15  1  0.059  0.489  0.225  1.0
  O  O16  1  0.489  0.059  0.225  1.0
  O  O17  1  0.915  0.629  0.233  1.0
  O  O18  1  0.320  0.168  0.213  1.0
  O  O19  1  0.781  0.781  0.235  1.0
  O  O20  1  0.168  0.320  0.213  1.0
  O  O21  1  0.085  0.371  0.767  1.0
  O  O22  1  0.511  0.941  0.775  1.0
  O  O23  1  0.941  0.511  0.775  1.0
  O  O24  1  0.371  0.085  0.767  1.0
  O  O25  1  0.832  0.680  0.787  1.0
  O  O26  1  0.219  0.219  0.765  1.0
  O  O27  1  0.680  0.832  0.787  1.0
[/CIF]
.
The compound described by Li4MnCo2O7 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)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 Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the fourth Li site, Li(4) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the fifth Li site, Li(5) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)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, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(5)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 two equivalent Mn(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Mn(1), and one Co(1) atom to form OLi4MnCo octahedra that share corners with two equivalent O(2)Li3Co3 octahedra, corners with four equivalent O(3)Li4MnCo octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(3)Li4MnCo octahedra, edges with four equivalent O(1)Li3MnCo2 octahedra, and edges with four equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(4) is bonded to one Li(4), one Li(5), two equivalent Li(3), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share corners with two equivalent O(4)Li4Mn2 octahedra, corners with four equivalent O(1)Li3MnCo2 octahedra, edges with two equivalent O(1)Li3MnCo2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, and edges with eight equivalent O(3)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share corners with two equivalent O(2)Li3Co3 octahedra, corners with two equivalent O(1)Li3MnCo2 octahedra, corners with two equivalent O(4)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(1)Li3MnCo2 octahedra, edges with four equivalent O(3)Li4MnCo octahedra, and edges with five equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(2) is bonded to one Li(1), two equivalent Li(2), one Co(1), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share corners with two equivalent O(2)Li3Co3 octahedra, corners with two equivalent O(1)Li3MnCo2 octahedra, corners with two equivalent O(3)Li4MnCo octahedra,  an edgeedge with one O(3)Li4MnCo octahedra, edges with five equivalent O(1)Li3MnCo2 octahedra, and edges with six equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the CIF card [CIF]
data_Li4MnCo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.255
_cell_length_b   10.255
_cell_length_c   5.175
_cell_angle_alpha   84.553
_cell_angle_beta   84.553
_cell_angle_gamma   150.728
_symmetry_Int_Tables_number   1
_cell_volume   246.613
_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  0.857  0.143  0.500  1.0
  Li  Li1  1  0.285  0.715  0.500  1.0
  Li  Li2  1  0.715  0.285  0.500  1.0
  Li  Li3  1  0.143  0.857  0.500  1.0
  Li  Li4  1  0.570  0.430  0.500  1.0
  Li  Li5  1  0.000  0.000  0.500  1.0
  Li  Li6  1  0.430  0.570  0.500  1.0
  Li  Li7  1  0.500  0.500  0.000  1.0
  Mn  Mn8  1  0.928  0.072  0.000  1.0
  Mn  Mn9  1  0.072  0.928  0.000  1.0
  Co  Co10  1  0.357  0.643  0.000  1.0
  Co  Co11  1  0.785  0.215  0.000  1.0
  Co  Co12  1  0.215  0.785  0.000  1.0
  Co  Co13  1  0.643  0.357  0.000  1.0
  O  O14  1  0.629  0.915  0.233  1.0
  O  O15  1  0.059  0.489  0.225  1.0
  O  O16  1  0.489  0.059  0.225  1.0
  O  O17  1  0.915  0.629  0.233  1.0
  O  O18  1  0.320  0.168  0.213  1.0
  O  O19  1  0.781  0.781  0.235  1.0
  O  O20  1  0.168  0.320  0.213  1.0
  O  O21  1  0.085  0.371  0.767  1.0
  O  O22  1  0.511  0.941  0.775  1.0
  O  O23  1  0.941  0.511  0.775  1.0
  O  O24  1  0.371  0.085  0.767  1.0
  O  O25  1  0.832  0.680  0.787  1.0
  O  O26  1  0.219  0.219  0.765  1.0
  O  O27  1  0.680  0.832  0.787  1.0
[/CIF]
.