The material structure described by Li4Mn3(CoO4)3 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms. 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 Mn(1)O6 octahedra, corners with four equivalent Mn(2)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, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. 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 Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(2)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 8-14°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form MnO6 octahedra that share  a cornercorner with one Li(2)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 Co(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Mn site, Mn(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four 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 Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form CoO6 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(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Co site, Co(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)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 8-14°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), two equivalent Mn(1), and one Co(1) atom to form OLi2Mn2Co square pyramids that share  a cornercorner with one O(1)Li2Mn2Co square pyramid,  a cornercorner with one O(2)Li2MnCo2 square pyramid,  a cornercorner with one O(4)Li2MnCo2 square pyramid, corners with three equivalent O(6)Li2Mn2Co square pyramids, corners with two equivalent O(5)LiMnCo2 trigonal pyramids,  an edgeedge with one O(1)Li2Mn2Co square pyramid,  an edgeedge with one O(6)Li2Mn2Co square pyramid,  an edgeedge with one O(4)Li2MnCo2 square pyramid, edges with two equivalent O(2)Li2MnCo2 square pyramids, and  an edgeedge with one O(5)LiMnCo2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Mn(1), and two equivalent Co(1) atoms to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(1)Li2Mn2Co square pyramid,  a cornercorner with one O(6)Li2Mn2Co square pyramid,  a cornercorner with one O(2)Li2MnCo2 square pyramid, corners with two equivalent O(4)Li2MnCo2 square pyramids, corners with four equivalent O(5)LiMnCo2 trigonal pyramids,  an edgeedge with one O(2)Li2MnCo2 square pyramid,  an edgeedge with one O(4)Li2MnCo2 square pyramid, edges with two equivalent O(1)Li2Mn2Co square pyramids, and edges with two equivalent O(6)Li2Mn2Co square pyramids. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Co(2) atom. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Mn(2), one Co(1), and one Co(2) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(1)Li2Mn2Co square pyramid,  a cornercorner with one O(6)Li2Mn2Co square pyramid, corners with two equivalent O(2)Li2MnCo2 square pyramids, corners with four equivalent O(4)Li2MnCo2 square pyramids,  a cornercorner with one O(5)LiMnCo2 trigonal pyramid,  an edgeedge with one O(1)Li2Mn2Co square pyramid,  an edgeedge with one O(6)Li2Mn2Co square pyramid,  an edgeedge with one O(2)Li2MnCo2 square pyramid, and  an edgeedge with one O(5)LiMnCo2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Mn(1), one Co(1), and one Co(2) atom to form OLiMnCo2 trigonal pyramids that share  a cornercorner with one O(4)Li2MnCo2 square pyramid, corners with two equivalent O(1)Li2Mn2Co square pyramids, corners with two equivalent O(6)Li2Mn2Co square pyramids, corners with four equivalent O(2)Li2MnCo2 square pyramids,  a cornercorner with one O(5)LiMnCo2 trigonal pyramid,  an edgeedge with one O(1)Li2Mn2Co square pyramid,  an edgeedge with one O(6)Li2Mn2Co square pyramid, and  an edgeedge with one O(4)Li2MnCo2 square pyramid. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Mn(1), one Mn(2), and one Co(1) atom to form OLi2Mn2Co square pyramids that share  a cornercorner with one O(6)Li2Mn2Co square pyramid,  a cornercorner with one O(2)Li2MnCo2 square pyramid,  a cornercorner with one O(4)Li2MnCo2 square pyramid, corners with three equivalent O(1)Li2Mn2Co square pyramids, corners with two equivalent O(5)LiMnCo2 trigonal pyramids,  an edgeedge with one O(1)Li2Mn2Co square pyramid,  an edgeedge with one O(6)Li2Mn2Co square pyramid,  an edgeedge with one O(4)Li2MnCo2 square pyramid, edges with two equivalent O(2)Li2MnCo2 square pyramids, and  an edgeedge with one O(5)LiMnCo2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn3(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.899
_cell_length_b   5.875
_cell_length_c   5.709
_cell_angle_alpha   89.144
_cell_angle_beta   102.178
_cell_angle_gamma   76.718
_symmetry_Int_Tables_number   1
_cell_volume   219.664
_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  0.027  0.976  0.480  1.0
  Li  Li1  1  0.667  0.333  0.167  1.0
  Li  Li2  1  0.667  0.333  0.667  1.0
  Li  Li3  1  0.306  0.691  0.854  1.0
  Mn  Mn4  1  0.001  0.499  0.996  1.0
  Mn  Mn5  1  0.333  0.168  0.337  1.0
  Mn  Mn6  1  0.667  0.833  0.667  1.0
  Co  Co7  1  0.005  0.500  0.500  1.0
  Co  Co8  1  0.328  0.167  0.833  1.0
  Co  Co9  1  0.667  0.833  0.167  1.0
  O  O10  1  0.028  0.267  0.260  1.0
  O  O11  1  0.004  0.282  0.746  1.0
  O  O12  1  0.305  0.399  0.073  1.0
  O  O13  1  0.629  0.095  0.419  1.0
  O  O14  1  0.329  0.385  0.588  1.0
  O  O15  1  0.654  0.054  0.917  1.0
  O  O16  1  0.362  0.942  0.091  1.0
  O  O17  1  0.679  0.613  0.416  1.0
  O  O18  1  0.330  0.946  0.589  1.0
  O  O19  1  0.705  0.572  0.915  1.0
  O  O20  1  0.971  0.725  0.242  1.0
  O  O21  1  0.003  0.720  0.745  1.0
[/CIF]
.
The material structure described by Li4Mn3(CoO4)3 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms. 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 Mn(1)O6 octahedra, corners with four equivalent Mn(2)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, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. 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 Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(2)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 8-14°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form MnO6 octahedra that share  a cornercorner with one Li(2)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 Co(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Mn site, Mn(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four 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 Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form CoO6 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(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Co site, Co(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)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 8-14°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), two equivalent Mn(1), and one Co(1) atom to form OLi2Mn2Co square pyramids that share  a cornercorner with one O(1)Li2Mn2Co square pyramid,  a cornercorner with one O(2)Li2MnCo2 square pyramid,  a cornercorner with one O(4)Li2MnCo2 square pyramid, corners with three equivalent O(6)Li2Mn2Co square pyramids, corners with two equivalent O(5)LiMnCo2 trigonal pyramids,  an edgeedge with one O(1)Li2Mn2Co square pyramid,  an edgeedge with one O(6)Li2Mn2Co square pyramid,  an edgeedge with one O(4)Li2MnCo2 square pyramid, edges with two equivalent O(2)Li2MnCo2 square pyramids, and  an edgeedge with one O(5)LiMnCo2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Mn(1), and two equivalent Co(1) atoms to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(1)Li2Mn2Co square pyramid,  a cornercorner with one O(6)Li2Mn2Co square pyramid,  a cornercorner with one O(2)Li2MnCo2 square pyramid, corners with two equivalent O(4)Li2MnCo2 square pyramids, corners with four equivalent O(5)LiMnCo2 trigonal pyramids,  an edgeedge with one O(2)Li2MnCo2 square pyramid,  an edgeedge with one O(4)Li2MnCo2 square pyramid, edges with two equivalent O(1)Li2Mn2Co square pyramids, and edges with two equivalent O(6)Li2Mn2Co square pyramids. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Co(2) atom. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Mn(2), one Co(1), and one Co(2) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(1)Li2Mn2Co square pyramid,  a cornercorner with one O(6)Li2Mn2Co square pyramid, corners with two equivalent O(2)Li2MnCo2 square pyramids, corners with four equivalent O(4)Li2MnCo2 square pyramids,  a cornercorner with one O(5)LiMnCo2 trigonal pyramid,  an edgeedge with one O(1)Li2Mn2Co square pyramid,  an edgeedge with one O(6)Li2Mn2Co square pyramid,  an edgeedge with one O(2)Li2MnCo2 square pyramid, and  an edgeedge with one O(5)LiMnCo2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Mn(1), one Co(1), and one Co(2) atom to form OLiMnCo2 trigonal pyramids that share  a cornercorner with one O(4)Li2MnCo2 square pyramid, corners with two equivalent O(1)Li2Mn2Co square pyramids, corners with two equivalent O(6)Li2Mn2Co square pyramids, corners with four equivalent O(2)Li2MnCo2 square pyramids,  a cornercorner with one O(5)LiMnCo2 trigonal pyramid,  an edgeedge with one O(1)Li2Mn2Co square pyramid,  an edgeedge with one O(6)Li2Mn2Co square pyramid, and  an edgeedge with one O(4)Li2MnCo2 square pyramid. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Mn(1), one Mn(2), and one Co(1) atom to form OLi2Mn2Co square pyramids that share  a cornercorner with one O(6)Li2Mn2Co square pyramid,  a cornercorner with one O(2)Li2MnCo2 square pyramid,  a cornercorner with one O(4)Li2MnCo2 square pyramid, corners with three equivalent O(1)Li2Mn2Co square pyramids, corners with two equivalent O(5)LiMnCo2 trigonal pyramids,  an edgeedge with one O(1)Li2Mn2Co square pyramid,  an edgeedge with one O(6)Li2Mn2Co square pyramid,  an edgeedge with one O(4)Li2MnCo2 square pyramid, edges with two equivalent O(2)Li2MnCo2 square pyramids, and  an edgeedge with one O(5)LiMnCo2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn3(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.899
_cell_length_b   5.875
_cell_length_c   5.709
_cell_angle_alpha   89.144
_cell_angle_beta   102.178
_cell_angle_gamma   76.718
_symmetry_Int_Tables_number   1
_cell_volume   219.664
_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  0.027  0.976  0.480  1.0
  Li  Li1  1  0.667  0.333  0.167  1.0
  Li  Li2  1  0.667  0.333  0.667  1.0
  Li  Li3  1  0.306  0.691  0.854  1.0
  Mn  Mn4  1  0.001  0.499  0.996  1.0
  Mn  Mn5  1  0.333  0.168  0.337  1.0
  Mn  Mn6  1  0.667  0.833  0.667  1.0
  Co  Co7  1  0.005  0.500  0.500  1.0
  Co  Co8  1  0.328  0.167  0.833  1.0
  Co  Co9  1  0.667  0.833  0.167  1.0
  O  O10  1  0.028  0.267  0.260  1.0
  O  O11  1  0.004  0.282  0.746  1.0
  O  O12  1  0.305  0.399  0.073  1.0
  O  O13  1  0.629  0.095  0.419  1.0
  O  O14  1  0.329  0.385  0.588  1.0
  O  O15  1  0.654  0.054  0.917  1.0
  O  O16  1  0.362  0.942  0.091  1.0
  O  O17  1  0.679  0.613  0.416  1.0
  O  O18  1  0.330  0.946  0.589  1.0
  O  O19  1  0.705  0.572  0.915  1.0
  O  O20  1  0.971  0.725  0.242  1.0
  O  O21  1  0.003  0.720  0.745  1.0
[/CIF]
.