The material structure described by Li2Mn3(CoO4)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with five equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)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 are 8°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with five equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. 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(5) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Mn(1), one Mn(2), and one Co(2) atom to form a mixture of edge and corner-sharing OLi2Mn2Co square pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Mn(2), and one Co(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Li2Mn3(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.695
_cell_length_b   5.993
_cell_length_c   6.750
_cell_angle_alpha   107.443
_cell_angle_beta   103.531
_cell_angle_gamma   87.847
_symmetry_Int_Tables_number   1
_cell_volume   213.555
_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  0.197  0.694  0.690  1.0
  Li  Li1  1  0.803  0.306  0.310  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.331  0.841  0.329  1.0
  Mn  Mn4  1  0.669  0.159  0.671  1.0
  Co  Co5  1  0.500  0.500  0.000  1.0
  Co  Co6  1  0.833  0.834  0.333  1.0
  Co  Co7  1  0.167  0.166  0.667  1.0
  O  O8  1  0.249  0.720  0.015  1.0
  O  O9  1  0.745  0.718  0.027  1.0
  O  O10  1  0.085  0.612  0.311  1.0
  O  O11  1  0.412  0.937  0.636  1.0
  O  O12  1  0.584  0.611  0.303  1.0
  O  O13  1  0.922  0.940  0.641  1.0
  O  O14  1  0.078  0.060  0.359  1.0
  O  O15  1  0.416  0.389  0.697  1.0
  O  O16  1  0.588  0.063  0.364  1.0
  O  O17  1  0.915  0.388  0.689  1.0
  O  O18  1  0.255  0.282  0.973  1.0
  O  O19  1  0.751  0.280  0.985  1.0
[/CIF]
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The material structure described by Li2Mn3(CoO4)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with five equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)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 are 8°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with five equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. 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(5) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Mn(1), one Mn(2), and one Co(2) atom to form a mixture of edge and corner-sharing OLi2Mn2Co square pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Mn(2), and one Co(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Li2Mn3(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.695
_cell_length_b   5.993
_cell_length_c   6.750
_cell_angle_alpha   107.443
_cell_angle_beta   103.531
_cell_angle_gamma   87.847
_symmetry_Int_Tables_number   1
_cell_volume   213.555
_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  0.197  0.694  0.690  1.0
  Li  Li1  1  0.803  0.306  0.310  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.331  0.841  0.329  1.0
  Mn  Mn4  1  0.669  0.159  0.671  1.0
  Co  Co5  1  0.500  0.500  0.000  1.0
  Co  Co6  1  0.833  0.834  0.333  1.0
  Co  Co7  1  0.167  0.166  0.667  1.0
  O  O8  1  0.249  0.720  0.015  1.0
  O  O9  1  0.745  0.718  0.027  1.0
  O  O10  1  0.085  0.612  0.311  1.0
  O  O11  1  0.412  0.937  0.636  1.0
  O  O12  1  0.584  0.611  0.303  1.0
  O  O13  1  0.922  0.940  0.641  1.0
  O  O14  1  0.078  0.060  0.359  1.0
  O  O15  1  0.416  0.389  0.697  1.0
  O  O16  1  0.588  0.063  0.364  1.0
  O  O17  1  0.915  0.388  0.689  1.0
  O  O18  1  0.255  0.282  0.973  1.0
  O  O19  1  0.751  0.280  0.985  1.0
[/CIF]
.