The structure described by Li4Mn3(NiO4)3 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with five equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the second Li site, Li(2) 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 Ni(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)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 Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the third Li site, Li(3) 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 Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second Mn site, Mn(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with four 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 Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with five equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the second Ni site, Ni(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 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 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 Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Mn(1), and two equivalent Ni(1) atoms to form OLi2MnNi2 square pyramids that share  a cornercorner with one O(3)Li3MnNi2 octahedra,  a cornercorner with one O(2)Li2Mn2Ni square pyramid,  a cornercorner with one O(4)Li2Mn2Ni square pyramid,  a cornercorner with one O(1)Li2MnNi2 square pyramid, corners with three equivalent O(6)Li2MnNi2 square pyramids, edges with two equivalent O(3)Li3MnNi2 octahedra,  an edgeedge with one O(4)Li2Mn2Ni square pyramid,  an edgeedge with one O(1)Li2MnNi2 square pyramid,  an edgeedge with one O(6)Li2MnNi2 square pyramid, and edges with two equivalent O(2)Li2Mn2Ni square pyramids. The corner-sharing octahedral tilt angles are 5°. In the second O site, O(2) is bonded to one Li(1), one Li(3), two equivalent Mn(1), and one Ni(1) atom to form OLi2Mn2Ni square pyramids that share  a cornercorner with one O(2)Li2Mn2Ni square pyramid,  a cornercorner with one O(1)Li2MnNi2 square pyramid,  a cornercorner with one O(6)Li2MnNi2 square pyramid, corners with two equivalent O(4)Li2Mn2Ni square pyramids, edges with two equivalent O(3)Li3MnNi2 octahedra,  an edgeedge with one O(2)Li2Mn2Ni square pyramid,  an edgeedge with one O(4)Li2Mn2Ni square pyramid, edges with two equivalent O(1)Li2MnNi2 square pyramids, and edges with two equivalent O(6)Li2MnNi2 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Mn(2), one Ni(1), and one Ni(2) atom to form OLi3MnNi2 octahedra that share corners with four equivalent O(3)Li3MnNi2 octahedra,  a cornercorner with one O(1)Li2MnNi2 square pyramid,  a cornercorner with one O(6)Li2MnNi2 square pyramid, edges with two equivalent O(2)Li2Mn2Ni square pyramids, edges with two equivalent O(1)Li2MnNi2 square pyramids, edges with two equivalent O(6)Li2MnNi2 square pyramids, and edges with four equivalent O(4)Li2Mn2Ni square pyramids. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Mn(1), one Mn(2), and one Ni(2) atom to form OLi2Mn2Ni square pyramids that share  a cornercorner with one O(1)Li2MnNi2 square pyramid,  a cornercorner with one O(6)Li2MnNi2 square pyramid, corners with two equivalent O(2)Li2Mn2Ni square pyramids, corners with four equivalent O(4)Li2Mn2Ni square pyramids, edges with four equivalent O(3)Li3MnNi2 octahedra,  an edgeedge with one O(2)Li2Mn2Ni square pyramid,  an edgeedge with one O(1)Li2MnNi2 square pyramid, and  an edgeedge with one O(6)Li2MnNi2 square pyramid. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Ni(1) atom. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Mn(1), one Ni(1), and one Ni(2) atom to form OLi2MnNi2 square pyramids that share  a cornercorner with one O(3)Li3MnNi2 octahedra,  a cornercorner with one O(2)Li2Mn2Ni square pyramid,  a cornercorner with one O(4)Li2Mn2Ni square pyramid,  a cornercorner with one O(6)Li2MnNi2 square pyramid, corners with three equivalent O(1)Li2MnNi2 square pyramids, edges with two equivalent O(3)Li3MnNi2 octahedra,  an edgeedge with one O(4)Li2Mn2Ni square pyramid,  an edgeedge with one O(1)Li2MnNi2 square pyramid,  an edgeedge with one O(6)Li2MnNi2 square pyramid, and edges with two equivalent O(2)Li2Mn2Ni square pyramids. The corner-sharing octahedral tilt angles are 5°. is represented by the CIF card [CIF]
data_Li4Mn3(NiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.860
_cell_length_b   5.940
_cell_length_c   6.534
_cell_angle_alpha   104.069
_cell_angle_beta   102.802
_cell_angle_gamma   91.652
_symmetry_Int_Tables_number   1
_cell_volume   214.317
_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  0.176  0.659  0.654  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.824  0.341  0.346  1.0
  Mn  Mn4  1  0.836  0.828  0.340  1.0
  Mn  Mn5  1  0.164  0.172  0.660  1.0
  Mn  Mn6  1  0.500  0.500  0.000  1.0
  Ni  Ni7  1  0.337  0.831  0.337  1.0
  Ni  Ni8  1  0.663  0.169  0.663  1.0
  Ni  Ni9  1  0.000  0.500  0.000  1.0
  O  O10  1  0.403  0.952  0.647  1.0
  O  O11  1  0.935  0.931  0.655  1.0
  O  O12  1  0.274  0.735  0.024  1.0
  O  O13  1  0.597  0.048  0.353  1.0
  O  O14  1  0.746  0.743  0.029  1.0
  O  O15  1  0.065  0.069  0.345  1.0
  O  O16  1  0.254  0.257  0.971  1.0
  O  O17  1  0.598  0.588  0.310  1.0
  O  O18  1  0.726  0.265  0.976  1.0
  O  O19  1  0.076  0.620  0.331  1.0
  O  O20  1  0.402  0.412  0.690  1.0
  O  O21  1  0.924  0.380  0.669  1.0
[/CIF]
.
The structure described by Li4Mn3(NiO4)3 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with five equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the second Li site, Li(2) 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 Ni(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)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 Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the third Li site, Li(3) 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 Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second Mn site, Mn(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with four 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 Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with five equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the second Ni site, Ni(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 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 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 Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Mn(1), and two equivalent Ni(1) atoms to form OLi2MnNi2 square pyramids that share  a cornercorner with one O(3)Li3MnNi2 octahedra,  a cornercorner with one O(2)Li2Mn2Ni square pyramid,  a cornercorner with one O(4)Li2Mn2Ni square pyramid,  a cornercorner with one O(1)Li2MnNi2 square pyramid, corners with three equivalent O(6)Li2MnNi2 square pyramids, edges with two equivalent O(3)Li3MnNi2 octahedra,  an edgeedge with one O(4)Li2Mn2Ni square pyramid,  an edgeedge with one O(1)Li2MnNi2 square pyramid,  an edgeedge with one O(6)Li2MnNi2 square pyramid, and edges with two equivalent O(2)Li2Mn2Ni square pyramids. The corner-sharing octahedral tilt angles are 5°. In the second O site, O(2) is bonded to one Li(1), one Li(3), two equivalent Mn(1), and one Ni(1) atom to form OLi2Mn2Ni square pyramids that share  a cornercorner with one O(2)Li2Mn2Ni square pyramid,  a cornercorner with one O(1)Li2MnNi2 square pyramid,  a cornercorner with one O(6)Li2MnNi2 square pyramid, corners with two equivalent O(4)Li2Mn2Ni square pyramids, edges with two equivalent O(3)Li3MnNi2 octahedra,  an edgeedge with one O(2)Li2Mn2Ni square pyramid,  an edgeedge with one O(4)Li2Mn2Ni square pyramid, edges with two equivalent O(1)Li2MnNi2 square pyramids, and edges with two equivalent O(6)Li2MnNi2 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Mn(2), one Ni(1), and one Ni(2) atom to form OLi3MnNi2 octahedra that share corners with four equivalent O(3)Li3MnNi2 octahedra,  a cornercorner with one O(1)Li2MnNi2 square pyramid,  a cornercorner with one O(6)Li2MnNi2 square pyramid, edges with two equivalent O(2)Li2Mn2Ni square pyramids, edges with two equivalent O(1)Li2MnNi2 square pyramids, edges with two equivalent O(6)Li2MnNi2 square pyramids, and edges with four equivalent O(4)Li2Mn2Ni square pyramids. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Mn(1), one Mn(2), and one Ni(2) atom to form OLi2Mn2Ni square pyramids that share  a cornercorner with one O(1)Li2MnNi2 square pyramid,  a cornercorner with one O(6)Li2MnNi2 square pyramid, corners with two equivalent O(2)Li2Mn2Ni square pyramids, corners with four equivalent O(4)Li2Mn2Ni square pyramids, edges with four equivalent O(3)Li3MnNi2 octahedra,  an edgeedge with one O(2)Li2Mn2Ni square pyramid,  an edgeedge with one O(1)Li2MnNi2 square pyramid, and  an edgeedge with one O(6)Li2MnNi2 square pyramid. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Ni(1) atom. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Mn(1), one Ni(1), and one Ni(2) atom to form OLi2MnNi2 square pyramids that share  a cornercorner with one O(3)Li3MnNi2 octahedra,  a cornercorner with one O(2)Li2Mn2Ni square pyramid,  a cornercorner with one O(4)Li2Mn2Ni square pyramid,  a cornercorner with one O(6)Li2MnNi2 square pyramid, corners with three equivalent O(1)Li2MnNi2 square pyramids, edges with two equivalent O(3)Li3MnNi2 octahedra,  an edgeedge with one O(4)Li2Mn2Ni square pyramid,  an edgeedge with one O(1)Li2MnNi2 square pyramid,  an edgeedge with one O(6)Li2MnNi2 square pyramid, and edges with two equivalent O(2)Li2Mn2Ni square pyramids. The corner-sharing octahedral tilt angles are 5°. is represented by the CIF card [CIF]
data_Li4Mn3(NiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.860
_cell_length_b   5.940
_cell_length_c   6.534
_cell_angle_alpha   104.069
_cell_angle_beta   102.802
_cell_angle_gamma   91.652
_symmetry_Int_Tables_number   1
_cell_volume   214.317
_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  0.176  0.659  0.654  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.824  0.341  0.346  1.0
  Mn  Mn4  1  0.836  0.828  0.340  1.0
  Mn  Mn5  1  0.164  0.172  0.660  1.0
  Mn  Mn6  1  0.500  0.500  0.000  1.0
  Ni  Ni7  1  0.337  0.831  0.337  1.0
  Ni  Ni8  1  0.663  0.169  0.663  1.0
  Ni  Ni9  1  0.000  0.500  0.000  1.0
  O  O10  1  0.403  0.952  0.647  1.0
  O  O11  1  0.935  0.931  0.655  1.0
  O  O12  1  0.274  0.735  0.024  1.0
  O  O13  1  0.597  0.048  0.353  1.0
  O  O14  1  0.746  0.743  0.029  1.0
  O  O15  1  0.065  0.069  0.345  1.0
  O  O16  1  0.254  0.257  0.971  1.0
  O  O17  1  0.598  0.588  0.310  1.0
  O  O18  1  0.726  0.265  0.976  1.0
  O  O19  1  0.076  0.620  0.331  1.0
  O  O20  1  0.402  0.412  0.690  1.0
  O  O21  1  0.924  0.380  0.669  1.0
[/CIF]
.