The structure described by Li14Mn2O9 crystallizes in the trigonal P-3 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1) and three equivalent O(3) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, corners with six equivalent Li(3)O4 tetrahedra, and edges with three equivalent Li(3)O4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the third Li site, Li(3) is bonded to four equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with six equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O4 tetrahedra, and edges with three equivalent Li(3)O4 tetrahedra. Mn(1) is bonded to one O(2) and three equivalent O(3) atoms to form MnO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with six equivalent Li(3)O4 tetrahedra, and edges with three equivalent Li(3)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a body-centered cubic geometry to two equivalent Li(1) and six equivalent Li(2) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to six equivalent Li(2) and one Mn(1) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), four equivalent Li(3), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li14Mn2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   5.917
_cell_length_c   8.133
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   246.560
_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  1.000  0.000  0.740  1.0
  Li  Li1  1  0.000  0.000  0.260  1.0
  Li  Li2  1  0.294  0.641  0.096  1.0
  Li  Li3  1  0.641  0.065  0.096  1.0
  Li  Li4  1  0.065  0.294  0.096  1.0
  Li  Li5  1  0.935  0.706  0.904  1.0
  Li  Li6  1  0.359  0.935  0.904  1.0
  Li  Li7  1  0.706  0.359  0.904  1.0
  Li  Li8  1  0.062  0.627  0.415  1.0
  Li  Li9  1  0.627  0.311  0.415  1.0
  Li  Li10  1  0.689  0.938  0.585  1.0
  Li  Li11  1  0.311  0.062  0.415  1.0
  Li  Li12  1  0.373  0.689  0.585  1.0
  Li  Li13  1  0.938  0.373  0.585  1.0
  Mn  Mn14  1  0.333  0.333  0.748  1.0
  Mn  Mn15  1  0.667  0.667  0.252  1.0
  O  O16  1  0.000  1.000  1.000  1.0
  O  O17  1  0.333  0.333  0.995  1.0
  O  O18  1  0.667  0.667  0.005  1.0
  O  O19  1  0.021  0.669  0.659  1.0
  O  O20  1  0.669  0.310  0.659  1.0
  O  O21  1  0.690  0.979  0.341  1.0
  O  O22  1  0.310  0.021  0.659  1.0
  O  O23  1  0.331  0.690  0.341  1.0
  O  O24  1  0.979  0.331  0.341  1.0
[/CIF]
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The structure described by Li14Mn2O9 crystallizes in the trigonal P-3 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1) and three equivalent O(3) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, corners with six equivalent Li(3)O4 tetrahedra, and edges with three equivalent Li(3)O4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the third Li site, Li(3) is bonded to four equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with six equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O4 tetrahedra, and edges with three equivalent Li(3)O4 tetrahedra. Mn(1) is bonded to one O(2) and three equivalent O(3) atoms to form MnO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with six equivalent Li(3)O4 tetrahedra, and edges with three equivalent Li(3)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a body-centered cubic geometry to two equivalent Li(1) and six equivalent Li(2) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to six equivalent Li(2) and one Mn(1) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), four equivalent Li(3), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Li14Mn2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   5.917
_cell_length_c   8.133
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   246.560
_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  1.000  0.000  0.740  1.0
  Li  Li1  1  0.000  0.000  0.260  1.0
  Li  Li2  1  0.294  0.641  0.096  1.0
  Li  Li3  1  0.641  0.065  0.096  1.0
  Li  Li4  1  0.065  0.294  0.096  1.0
  Li  Li5  1  0.935  0.706  0.904  1.0
  Li  Li6  1  0.359  0.935  0.904  1.0
  Li  Li7  1  0.706  0.359  0.904  1.0
  Li  Li8  1  0.062  0.627  0.415  1.0
  Li  Li9  1  0.627  0.311  0.415  1.0
  Li  Li10  1  0.689  0.938  0.585  1.0
  Li  Li11  1  0.311  0.062  0.415  1.0
  Li  Li12  1  0.373  0.689  0.585  1.0
  Li  Li13  1  0.938  0.373  0.585  1.0
  Mn  Mn14  1  0.333  0.333  0.748  1.0
  Mn  Mn15  1  0.667  0.667  0.252  1.0
  O  O16  1  0.000  1.000  1.000  1.0
  O  O17  1  0.333  0.333  0.995  1.0
  O  O18  1  0.667  0.667  0.005  1.0
  O  O19  1  0.021  0.669  0.659  1.0
  O  O20  1  0.669  0.310  0.659  1.0
  O  O21  1  0.690  0.979  0.341  1.0
  O  O22  1  0.310  0.021  0.659  1.0
  O  O23  1  0.331  0.690  0.341  1.0
  O  O24  1  0.979  0.331  0.341  1.0
[/CIF]
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