The compound described by Li4MnCo2NiO8 is Caswellsilverite-derived structured and crystallizes in the monoclinic P2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) 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 three equivalent Mn(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Ni(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, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. 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 six equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the third Li site, Li(3) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. Co(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. Ni(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with three equivalent O(3)Li3CoNi2 octahedra, corners with three equivalent O(1)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li3CoNi2 octahedra, edges with two equivalent O(4)Li3Co2Ni octahedra, edges with three equivalent O(1)Li3Mn2Co octahedra, and edges with six equivalent O(2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), one Mn(1), and two equivalent Co(1) atoms to form OLi3MnCo2 octahedra that share corners with three equivalent O(4)Li3Co2Ni octahedra, corners with three equivalent O(2)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li3Co2Ni octahedra, edges with two equivalent O(3)Li3CoNi2 octahedra, edges with three equivalent O(2)Li3MnCo2 octahedra, and edges with six equivalent O(1)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(1), one Co(1), and two equivalent Ni(1) atoms to form OLi3CoNi2 octahedra that share corners with three equivalent O(3)Li3CoNi2 octahedra, corners with three equivalent O(1)Li3Mn2Co octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with three equivalent O(3)Li3CoNi2 octahedra, and edges with six equivalent O(4)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(3), two equivalent Co(1), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(4)Li3Co2Ni octahedra, corners with three equivalent O(2)Li3MnCo2 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with three equivalent O(4)Li3Co2Ni octahedra, and edges with six equivalent O(3)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. is represented by the CIF file [CIF]
data_Li4MnCo2NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.943
_cell_length_b   5.146
_cell_length_c   9.765
_cell_angle_alpha   78.971
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   145.193
_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  0.000  0.751  0.261  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.249  0.739  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Co  Co5  1  0.500  0.239  0.260  1.0
  Co  Co6  1  0.500  0.761  0.740  1.0
  Ni  Ni7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.500  0.602  0.113  1.0
  O  O9  1  0.000  0.843  0.879  1.0
  O  O10  1  0.500  0.098  0.630  1.0
  O  O11  1  0.000  0.376  0.367  1.0
  O  O12  1  0.500  0.398  0.887  1.0
  O  O13  1  0.000  0.624  0.633  1.0
  O  O14  1  0.500  0.902  0.370  1.0
  O  O15  1  0.000  0.157  0.121  1.0
[/CIF]
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The compound described by Li4MnCo2NiO8 is Caswellsilverite-derived structured and crystallizes in the monoclinic P2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) 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 three equivalent Mn(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Ni(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, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. 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 six equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the third Li site, Li(3) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. Co(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. Ni(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with three equivalent O(3)Li3CoNi2 octahedra, corners with three equivalent O(1)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li3CoNi2 octahedra, edges with two equivalent O(4)Li3Co2Ni octahedra, edges with three equivalent O(1)Li3Mn2Co octahedra, and edges with six equivalent O(2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), one Mn(1), and two equivalent Co(1) atoms to form OLi3MnCo2 octahedra that share corners with three equivalent O(4)Li3Co2Ni octahedra, corners with three equivalent O(2)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li3Co2Ni octahedra, edges with two equivalent O(3)Li3CoNi2 octahedra, edges with three equivalent O(2)Li3MnCo2 octahedra, and edges with six equivalent O(1)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(1), one Co(1), and two equivalent Ni(1) atoms to form OLi3CoNi2 octahedra that share corners with three equivalent O(3)Li3CoNi2 octahedra, corners with three equivalent O(1)Li3Mn2Co octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra, edges with two equivalent O(2)Li3MnCo2 octahedra, edges with three equivalent O(3)Li3CoNi2 octahedra, and edges with six equivalent O(4)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(3), two equivalent Co(1), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(4)Li3Co2Ni octahedra, corners with three equivalent O(2)Li3MnCo2 octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with three equivalent O(4)Li3Co2Ni octahedra, and edges with six equivalent O(3)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. is represented by the CIF file [CIF]
data_Li4MnCo2NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.943
_cell_length_b   5.146
_cell_length_c   9.765
_cell_angle_alpha   78.971
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   145.193
_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  0.000  0.751  0.261  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.249  0.739  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Co  Co5  1  0.500  0.239  0.260  1.0
  Co  Co6  1  0.500  0.761  0.740  1.0
  Ni  Ni7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.500  0.602  0.113  1.0
  O  O9  1  0.000  0.843  0.879  1.0
  O  O10  1  0.500  0.098  0.630  1.0
  O  O11  1  0.000  0.376  0.367  1.0
  O  O12  1  0.500  0.398  0.887  1.0
  O  O13  1  0.000  0.624  0.633  1.0
  O  O14  1  0.500  0.902  0.370  1.0
  O  O15  1  0.000  0.157  0.121  1.0
[/CIF]
.