The structure described by Li4Mn3CoO8 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(3), 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(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the third Li site, Li(3) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Mn(2)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, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(3)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, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(3), two equivalent Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with two equivalent O(1)Li3Mn2Co octahedra, corners with four equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with four equivalent O(2)Li3Mn2Co octahedra, and edges with four equivalent O(4)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with two equivalent O(4)Li3Mn2Co octahedra, corners with four equivalent O(2)Li3Mn2Co octahedra, edges with four equivalent O(1)Li3Mn2Co octahedra, edges with four equivalent O(4)Li3Mn2Co octahedra, and edges with four equivalent O(3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(3), one Mn(1), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share corners with two equivalent O(3)Li3Mn3 octahedra, corners with four equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with four equivalent O(2)Li3Mn2Co octahedra, and edges with four equivalent O(4)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with two equivalent O(2)Li3Mn2Co octahedra, corners with four equivalent O(4)Li3Mn2Co octahedra, edges with four equivalent O(1)Li3Mn2Co octahedra, edges with four equivalent O(2)Li3Mn2Co octahedra, and edges with four equivalent O(3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF card [CIF]
data_Li4Mn3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   5.096
_cell_length_c   6.144
_cell_angle_alpha   87.773
_cell_angle_beta   86.354
_cell_angle_gamma   106.088
_symmetry_Int_Tables_number   1
_cell_volume   151.626
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.500  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  1.000  1.0
  Li  Li2  1  0.991  0.498  0.249  1.0
  Li  Li3  1  0.008  0.502  0.751  1.0
  Mn  Mn4  1  1.000  1.000  0.500  1.0
  Mn  Mn5  1  0.498  0.992  0.249  1.0
  Mn  Mn6  1  0.502  0.008  0.751  1.0
  Co  Co7  1  1.000  0.000  0.000  1.0
  O  O8  1  0.753  0.226  0.015  1.0
  O  O9  1  0.247  0.774  0.985  1.0
  O  O10  1  0.240  0.218  0.251  1.0
  O  O11  1  0.760  0.782  0.750  1.0
  O  O12  1  0.752  0.232  0.512  1.0
  O  O13  1  0.249  0.768  0.488  1.0
  O  O14  1  0.263  0.243  0.754  1.0
  O  O15  1  0.737  0.757  0.246  1.0
[/CIF]
.
The structure described by Li4Mn3CoO8 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(3), 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(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the third Li site, Li(3) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Mn(2)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, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(3)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, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(3), two equivalent Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with two equivalent O(1)Li3Mn2Co octahedra, corners with four equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with four equivalent O(2)Li3Mn2Co octahedra, and edges with four equivalent O(4)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with two equivalent O(4)Li3Mn2Co octahedra, corners with four equivalent O(2)Li3Mn2Co octahedra, edges with four equivalent O(1)Li3Mn2Co octahedra, edges with four equivalent O(4)Li3Mn2Co octahedra, and edges with four equivalent O(3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(3), one Mn(1), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share corners with two equivalent O(3)Li3Mn3 octahedra, corners with four equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with four equivalent O(2)Li3Mn2Co octahedra, and edges with four equivalent O(4)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with two equivalent O(2)Li3Mn2Co octahedra, corners with four equivalent O(4)Li3Mn2Co octahedra, edges with four equivalent O(1)Li3Mn2Co octahedra, edges with four equivalent O(2)Li3Mn2Co octahedra, and edges with four equivalent O(3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF card [CIF]
data_Li4Mn3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   5.096
_cell_length_c   6.144
_cell_angle_alpha   87.773
_cell_angle_beta   86.354
_cell_angle_gamma   106.088
_symmetry_Int_Tables_number   1
_cell_volume   151.626
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.500  0.500  0.500  1.0
  Li  Li1  1  0.500  0.500  1.000  1.0
  Li  Li2  1  0.991  0.498  0.249  1.0
  Li  Li3  1  0.008  0.502  0.751  1.0
  Mn  Mn4  1  1.000  1.000  0.500  1.0
  Mn  Mn5  1  0.498  0.992  0.249  1.0
  Mn  Mn6  1  0.502  0.008  0.751  1.0
  Co  Co7  1  1.000  0.000  0.000  1.0
  O  O8  1  0.753  0.226  0.015  1.0
  O  O9  1  0.247  0.774  0.985  1.0
  O  O10  1  0.240  0.218  0.251  1.0
  O  O11  1  0.760  0.782  0.750  1.0
  O  O12  1  0.752  0.232  0.512  1.0
  O  O13  1  0.249  0.768  0.488  1.0
  O  O14  1  0.263  0.243  0.754  1.0
  O  O15  1  0.737  0.757  0.246  1.0
[/CIF]
.