The compound described by Na3LiMn5O9 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NaO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)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 Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with three equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the second Na site, Na(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted NaO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)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 Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-24°. In the third Na site, Na(3) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NaO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)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 Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-24°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(6), one O(7), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)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, edges with three equivalent Mn(4)O6 octahedra, and edges with three equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(6), one O(7), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)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, edges with three equivalent Mn(3)O6 octahedra, and edges with three equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(6), one O(7), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)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, edges with three equivalent Mn(3)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(1), one Mn(2), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted OLiMn5 octahedra that share  a cornercorner with one O(3)Na3LiMn2 octahedra,  a cornercorner with one O(4)Na3LiMn2 octahedra,  a cornercorner with one O(5)Na3LiMn2 octahedra,  a cornercorner with one O(6)Na3Mn3 octahedra,  a cornercorner with one O(7)Na3Mn3 octahedra,  a cornercorner with one O(8)Na3Mn3 octahedra,  an edgeedge with one O(3)Na3LiMn2 octahedra,  an edgeedge with one O(4)Na3LiMn2 octahedra,  an edgeedge with one O(5)Na3LiMn2 octahedra,  an edgeedge with one O(6)Na3Mn3 octahedra,  an edgeedge with one O(7)Na3Mn3 octahedra,  an edgeedge with one O(8)Na3Mn3 octahedra, edges with three equivalent O(2)LiMn5 octahedra, and edges with three equivalent O(9)LiMn5 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the second O site, O(2) is bonded to one Li(1), one Mn(1), one Mn(2), one Mn(3), one Mn(4), and one Mn(5) atom to form OLiMn5 octahedra that share  a cornercorner with one O(3)Na3LiMn2 octahedra,  a cornercorner with one O(4)Na3LiMn2 octahedra,  a cornercorner with one O(5)Na3LiMn2 octahedra,  a cornercorner with one O(6)Na3Mn3 octahedra,  a cornercorner with one O(7)Na3Mn3 octahedra,  a cornercorner with one O(8)Na3Mn3 octahedra,  an edgeedge with one O(3)Na3LiMn2 octahedra,  an edgeedge with one O(4)Na3LiMn2 octahedra,  an edgeedge with one O(5)Na3LiMn2 octahedra,  an edgeedge with one O(6)Na3Mn3 octahedra,  an edgeedge with one O(7)Na3Mn3 octahedra,  an edgeedge with one O(8)Na3Mn3 octahedra, edges with three equivalent O(1)LiMn5 octahedra, and edges with three equivalent O(9)LiMn5 octahedra. The corner-sharing octahedral tilt angles range from 1-23°. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Na(3), one Li(1), one Mn(1), and one Mn(2) atom to form distorted ONa3LiMn2 octahedra that share  a cornercorner with one O(1)LiMn5 octahedra,  a cornercorner with one O(2)LiMn5 octahedra,  a cornercorner with one O(9)LiMn5 octahedra,  a cornercorner with one O(6)Na3Mn3 octahedra,  a cornercorner with one O(7)Na3Mn3 octahedra,  a cornercorner with one O(8)Na3Mn3 octahedra,  an edgeedge with one O(1)LiMn5 octahedra,  an edgeedge with one O(2)LiMn5 octahedra,  an edgeedge with one O(9)LiMn5 octahedra,  an edgeedge with one O(6)Na3Mn3 octahedra,  an edgeedge with one O(7)Na3Mn3 octahedra,  an edgeedge with one O(8)Na3Mn3 octahedra, edges with three equivalent O(4)Na3LiMn2 octahedra, and edges with three equivalent O(5)Na3LiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Na(3), one Li(1), one Mn(1), and one Mn(2) atom to form distorted ONa3LiMn2 octahedra that share  a cornercorner with one O(1)LiMn5 octahedra,  a cornercorner with one O(2)LiMn5 octahedra,  a cornercorner with one O(9)LiMn5 octahedra,  a cornercorner with one O(6)Na3Mn3 octahedra,  a cornercorner with one O(7)Na3Mn3 octahedra,  a cornercorner with one O(8)Na3Mn3 octahedra,  an edgeedge with one O(1)LiMn5 octahedra,  an edgeedge with one O(2)LiMn5 octahedra,  an edgeedge with one O(9)LiMn5 octahedra,  an edgeedge with one O(6)Na3Mn3 octahedra,  an edgeedge with one O(7)Na3Mn3 octahedra,  an edgeedge with one O(8)Na3Mn3 octahedra, edges with three equivalent O(3)Na3LiMn2 octahedra, and edges with three equivalent O(5)Na3LiMn2 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Na(3), one Li(1), one Mn(1), and one Mn(2) atom to form distorted ONa3LiMn2 octahedra that share  a cornercorner with one O(1)LiMn5 octahedra,  a cornercorner with one O(2)LiMn5 octahedra,  a cornercorner with one O(9)LiMn5 octahedra,  a cornercorner with one O(6)Na3Mn3 octahedra,  a cornercorner with one O(7)Na3Mn3 octahedra,  a cornercorner with one O(8)Na3Mn3 octahedra,  an edgeedge with one O(1)LiMn5 octahedra,  an edgeedge with one O(2)LiMn5 octahedra,  an edgeedge with one O(9)LiMn5 octahedra,  an edgeedge with one O(6)Na3Mn3 octahedra,  an edgeedge with one O(7)Na3Mn3 octahedra,  an edgeedge with one O(8)Na3Mn3 octahedra, edges with three equivalent O(3)Na3LiMn2 octahedra, and edges with three equivalent O(4)Na3LiMn2 octahedra. The corner-sharing octahedral tilt angles range from 4-23°. In the sixth O site, O(6) is bonded to one Na(1), one Na(2), one Na(3), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted ONa3Mn3 octahedra that share  a cornercorner with one O(1)LiMn5 octahedra,  a cornercorner with one O(2)LiMn5 octahedra,  a cornercorner with one O(9)LiMn5 octahedra,  a cornercorner with one O(3)Na3LiMn2 octahedra,  a cornercorner with one O(4)Na3LiMn2 octahedra,  a cornercorner with one O(5)Na3LiMn2 octahedra,  an edgeedge with one O(1)LiMn5 octahedra,  an edgeedge with one O(2)LiMn5 octahedra,  an edgeedge with one O(9)LiMn5 octahedra,  an edgeedge with one O(3)Na3LiMn2 octahedra,  an edgeedge with one O(4)Na3LiMn2 octahedra,  an edgeedge with one O(5)Na3LiMn2 octahedra, edges with three equivalent O(7)Na3Mn3 octahedra, and edges with three equivalent O(8)Na3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Na(3), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted ONa3Mn3 octahedra that share  a cornercorner with one O(1)LiMn5 octahedra,  a cornercorner with one O(2)LiMn5 octahedra,  a cornercorner with one O(9)LiMn5 octahedra,  a cornercorner with one O(3)Na3LiMn2 octahedra,  a cornercorner with one O(4)Na3LiMn2 octahedra,  a cornercorner with one O(5)Na3LiMn2 octahedra,  an edgeedge with one O(1)LiMn5 octahedra,  an edgeedge with one O(2)LiMn5 octahedra,  an edgeedge with one O(9)LiMn5 octahedra,  an edgeedge with one O(3)Na3LiMn2 octahedra,  an edgeedge with one O(4)Na3LiMn2 octahedra,  an edgeedge with one O(5)Na3LiMn2 octahedra, edges with three equivalent O(6)Na3Mn3 octahedra, and edges with three equivalent O(8)Na3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the eighth O site, O(8) is bonded to one Na(1), one Na(2), one Na(3), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted ONa3Mn3 octahedra that share  a cornercorner with one O(1)LiMn5 octahedra,  a cornercorner with one O(2)LiMn5 octahedra,  a cornercorner with one O(9)LiMn5 octahedra,  a cornercorner with one O(3)Na3LiMn2 octahedra,  a cornercorner with one O(4)Na3LiMn2 octahedra,  a cornercorner with one O(5)Na3LiMn2 octahedra,  an edgeedge with one O(1)LiMn5 octahedra,  an edgeedge with one O(2)LiMn5 octahedra,  an edgeedge with one O(9)LiMn5 octahedra,  an edgeedge with one O(3)Na3LiMn2 octahedra,  an edgeedge with one O(4)Na3LiMn2 octahedra,  an edgeedge with one O(5)Na3LiMn2 octahedra, edges with three equivalent O(6)Na3Mn3 octahedra, and edges with three equivalent O(7)Na3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the ninth O site, O(9) is bonded to one Li(1), one Mn(1), one Mn(2), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted OLiMn5 octahedra that share  a cornercorner with one O(3)Na3LiMn2 octahedra,  a cornercorner with one O(4)Na3LiMn2 octahedra,  a cornercorner with one O(5)Na3LiMn2 octahedra,  a cornercorner with one O(6)Na3Mn3 octahedra,  a cornercorner with one O(7)Na3Mn3 octahedra,  a cornercorner with one O(8)Na3Mn3 octahedra,  an edgeedge with one O(3)Na3LiMn2 octahedra,  an edgeedge with one O(4)Na3LiMn2 octahedra,  an edgeedge with one O(5)Na3LiMn2 octahedra,  an edgeedge with one O(6)Na3Mn3 octahedra,  an edgeedge with one O(7)Na3Mn3 octahedra,  an edgeedge with one O(8)Na3Mn3 octahedra, edges with three equivalent O(1)LiMn5 octahedra, and edges with three equivalent O(2)LiMn5 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. is represented by the CIF file [CIF]
data_Na3LiMn5O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.341
_cell_length_b   5.351
_cell_length_c   8.476
_cell_angle_alpha   90.041
_cell_angle_beta   108.261
_cell_angle_gamma   118.915
_symmetry_Int_Tables_number   1
_cell_volume   197.970
_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
  Na  Na0  1  0.298  0.151  0.479  1.0
  Na  Na1  1  0.643  0.821  0.482  1.0
  Na  Na2  1  0.967  0.474  0.480  1.0
  Li  Li3  1  0.771  0.051  0.169  1.0
  Mn  Mn4  1  0.447  0.396  0.154  1.0
  Mn  Mn5  1  0.109  0.734  0.154  1.0
  Mn  Mn6  1  0.199  0.930  0.819  1.0
  Mn  Mn7  1  0.528  0.602  0.820  1.0
  Mn  Mn8  1  0.868  0.270  0.824  1.0
  O  O9  1  0.675  0.394  0.993  1.0
  O  O10  1  0.323  0.678  0.963  1.0
  O  O11  1  0.831  0.737  0.284  1.0
  O  O12  1  0.494  0.073  0.284  1.0
  O  O13  1  0.199  0.448  0.267  1.0
  O  O14  1  0.431  0.877  0.694  1.0
  O  O15  1  0.749  0.555  0.688  1.0
  O  O16  1  0.110  0.197  0.688  1.0
  O  O17  1  0.050  0.018  0.993  1.0
[/CIF]
.
The compound described by Na3LiMn5O9 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NaO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)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 Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with three equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the second Na site, Na(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted NaO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)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 Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-24°. In the third Na site, Na(3) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NaO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)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 Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-24°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(6), one O(7), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)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, edges with three equivalent Mn(4)O6 octahedra, and edges with three equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(6), one O(7), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)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, edges with three equivalent Mn(3)O6 octahedra, and edges with three equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(6), one O(7), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)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, edges with three equivalent Mn(3)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(1), one Mn(2), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted OLiMn5 octahedra that share  a cornercorner with one O(3)Na3LiMn2 octahedra,  a cornercorner with one O(4)Na3LiMn2 octahedra,  a cornercorner with one O(5)Na3LiMn2 octahedra,  a cornercorner with one O(6)Na3Mn3 octahedra,  a cornercorner with one O(7)Na3Mn3 octahedra,  a cornercorner with one O(8)Na3Mn3 octahedra,  an edgeedge with one O(3)Na3LiMn2 octahedra,  an edgeedge with one O(4)Na3LiMn2 octahedra,  an edgeedge with one O(5)Na3LiMn2 octahedra,  an edgeedge with one O(6)Na3Mn3 octahedra,  an edgeedge with one O(7)Na3Mn3 octahedra,  an edgeedge with one O(8)Na3Mn3 octahedra, edges with three equivalent O(2)LiMn5 octahedra, and edges with three equivalent O(9)LiMn5 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the second O site, O(2) is bonded to one Li(1), one Mn(1), one Mn(2), one Mn(3), one Mn(4), and one Mn(5) atom to form OLiMn5 octahedra that share  a cornercorner with one O(3)Na3LiMn2 octahedra,  a cornercorner with one O(4)Na3LiMn2 octahedra,  a cornercorner with one O(5)Na3LiMn2 octahedra,  a cornercorner with one O(6)Na3Mn3 octahedra,  a cornercorner with one O(7)Na3Mn3 octahedra,  a cornercorner with one O(8)Na3Mn3 octahedra,  an edgeedge with one O(3)Na3LiMn2 octahedra,  an edgeedge with one O(4)Na3LiMn2 octahedra,  an edgeedge with one O(5)Na3LiMn2 octahedra,  an edgeedge with one O(6)Na3Mn3 octahedra,  an edgeedge with one O(7)Na3Mn3 octahedra,  an edgeedge with one O(8)Na3Mn3 octahedra, edges with three equivalent O(1)LiMn5 octahedra, and edges with three equivalent O(9)LiMn5 octahedra. The corner-sharing octahedral tilt angles range from 1-23°. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Na(3), one Li(1), one Mn(1), and one Mn(2) atom to form distorted ONa3LiMn2 octahedra that share  a cornercorner with one O(1)LiMn5 octahedra,  a cornercorner with one O(2)LiMn5 octahedra,  a cornercorner with one O(9)LiMn5 octahedra,  a cornercorner with one O(6)Na3Mn3 octahedra,  a cornercorner with one O(7)Na3Mn3 octahedra,  a cornercorner with one O(8)Na3Mn3 octahedra,  an edgeedge with one O(1)LiMn5 octahedra,  an edgeedge with one O(2)LiMn5 octahedra,  an edgeedge with one O(9)LiMn5 octahedra,  an edgeedge with one O(6)Na3Mn3 octahedra,  an edgeedge with one O(7)Na3Mn3 octahedra,  an edgeedge with one O(8)Na3Mn3 octahedra, edges with three equivalent O(4)Na3LiMn2 octahedra, and edges with three equivalent O(5)Na3LiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Na(3), one Li(1), one Mn(1), and one Mn(2) atom to form distorted ONa3LiMn2 octahedra that share  a cornercorner with one O(1)LiMn5 octahedra,  a cornercorner with one O(2)LiMn5 octahedra,  a cornercorner with one O(9)LiMn5 octahedra,  a cornercorner with one O(6)Na3Mn3 octahedra,  a cornercorner with one O(7)Na3Mn3 octahedra,  a cornercorner with one O(8)Na3Mn3 octahedra,  an edgeedge with one O(1)LiMn5 octahedra,  an edgeedge with one O(2)LiMn5 octahedra,  an edgeedge with one O(9)LiMn5 octahedra,  an edgeedge with one O(6)Na3Mn3 octahedra,  an edgeedge with one O(7)Na3Mn3 octahedra,  an edgeedge with one O(8)Na3Mn3 octahedra, edges with three equivalent O(3)Na3LiMn2 octahedra, and edges with three equivalent O(5)Na3LiMn2 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Na(3), one Li(1), one Mn(1), and one Mn(2) atom to form distorted ONa3LiMn2 octahedra that share  a cornercorner with one O(1)LiMn5 octahedra,  a cornercorner with one O(2)LiMn5 octahedra,  a cornercorner with one O(9)LiMn5 octahedra,  a cornercorner with one O(6)Na3Mn3 octahedra,  a cornercorner with one O(7)Na3Mn3 octahedra,  a cornercorner with one O(8)Na3Mn3 octahedra,  an edgeedge with one O(1)LiMn5 octahedra,  an edgeedge with one O(2)LiMn5 octahedra,  an edgeedge with one O(9)LiMn5 octahedra,  an edgeedge with one O(6)Na3Mn3 octahedra,  an edgeedge with one O(7)Na3Mn3 octahedra,  an edgeedge with one O(8)Na3Mn3 octahedra, edges with three equivalent O(3)Na3LiMn2 octahedra, and edges with three equivalent O(4)Na3LiMn2 octahedra. The corner-sharing octahedral tilt angles range from 4-23°. In the sixth O site, O(6) is bonded to one Na(1), one Na(2), one Na(3), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted ONa3Mn3 octahedra that share  a cornercorner with one O(1)LiMn5 octahedra,  a cornercorner with one O(2)LiMn5 octahedra,  a cornercorner with one O(9)LiMn5 octahedra,  a cornercorner with one O(3)Na3LiMn2 octahedra,  a cornercorner with one O(4)Na3LiMn2 octahedra,  a cornercorner with one O(5)Na3LiMn2 octahedra,  an edgeedge with one O(1)LiMn5 octahedra,  an edgeedge with one O(2)LiMn5 octahedra,  an edgeedge with one O(9)LiMn5 octahedra,  an edgeedge with one O(3)Na3LiMn2 octahedra,  an edgeedge with one O(4)Na3LiMn2 octahedra,  an edgeedge with one O(5)Na3LiMn2 octahedra, edges with three equivalent O(7)Na3Mn3 octahedra, and edges with three equivalent O(8)Na3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Na(3), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted ONa3Mn3 octahedra that share  a cornercorner with one O(1)LiMn5 octahedra,  a cornercorner with one O(2)LiMn5 octahedra,  a cornercorner with one O(9)LiMn5 octahedra,  a cornercorner with one O(3)Na3LiMn2 octahedra,  a cornercorner with one O(4)Na3LiMn2 octahedra,  a cornercorner with one O(5)Na3LiMn2 octahedra,  an edgeedge with one O(1)LiMn5 octahedra,  an edgeedge with one O(2)LiMn5 octahedra,  an edgeedge with one O(9)LiMn5 octahedra,  an edgeedge with one O(3)Na3LiMn2 octahedra,  an edgeedge with one O(4)Na3LiMn2 octahedra,  an edgeedge with one O(5)Na3LiMn2 octahedra, edges with three equivalent O(6)Na3Mn3 octahedra, and edges with three equivalent O(8)Na3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the eighth O site, O(8) is bonded to one Na(1), one Na(2), one Na(3), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted ONa3Mn3 octahedra that share  a cornercorner with one O(1)LiMn5 octahedra,  a cornercorner with one O(2)LiMn5 octahedra,  a cornercorner with one O(9)LiMn5 octahedra,  a cornercorner with one O(3)Na3LiMn2 octahedra,  a cornercorner with one O(4)Na3LiMn2 octahedra,  a cornercorner with one O(5)Na3LiMn2 octahedra,  an edgeedge with one O(1)LiMn5 octahedra,  an edgeedge with one O(2)LiMn5 octahedra,  an edgeedge with one O(9)LiMn5 octahedra,  an edgeedge with one O(3)Na3LiMn2 octahedra,  an edgeedge with one O(4)Na3LiMn2 octahedra,  an edgeedge with one O(5)Na3LiMn2 octahedra, edges with three equivalent O(6)Na3Mn3 octahedra, and edges with three equivalent O(7)Na3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the ninth O site, O(9) is bonded to one Li(1), one Mn(1), one Mn(2), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted OLiMn5 octahedra that share  a cornercorner with one O(3)Na3LiMn2 octahedra,  a cornercorner with one O(4)Na3LiMn2 octahedra,  a cornercorner with one O(5)Na3LiMn2 octahedra,  a cornercorner with one O(6)Na3Mn3 octahedra,  a cornercorner with one O(7)Na3Mn3 octahedra,  a cornercorner with one O(8)Na3Mn3 octahedra,  an edgeedge with one O(3)Na3LiMn2 octahedra,  an edgeedge with one O(4)Na3LiMn2 octahedra,  an edgeedge with one O(5)Na3LiMn2 octahedra,  an edgeedge with one O(6)Na3Mn3 octahedra,  an edgeedge with one O(7)Na3Mn3 octahedra,  an edgeedge with one O(8)Na3Mn3 octahedra, edges with three equivalent O(1)LiMn5 octahedra, and edges with three equivalent O(2)LiMn5 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. is represented by the CIF file [CIF]
data_Na3LiMn5O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.341
_cell_length_b   5.351
_cell_length_c   8.476
_cell_angle_alpha   90.041
_cell_angle_beta   108.261
_cell_angle_gamma   118.915
_symmetry_Int_Tables_number   1
_cell_volume   197.970
_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
  Na  Na0  1  0.298  0.151  0.479  1.0
  Na  Na1  1  0.643  0.821  0.482  1.0
  Na  Na2  1  0.967  0.474  0.480  1.0
  Li  Li3  1  0.771  0.051  0.169  1.0
  Mn  Mn4  1  0.447  0.396  0.154  1.0
  Mn  Mn5  1  0.109  0.734  0.154  1.0
  Mn  Mn6  1  0.199  0.930  0.819  1.0
  Mn  Mn7  1  0.528  0.602  0.820  1.0
  Mn  Mn8  1  0.868  0.270  0.824  1.0
  O  O9  1  0.675  0.394  0.993  1.0
  O  O10  1  0.323  0.678  0.963  1.0
  O  O11  1  0.831  0.737  0.284  1.0
  O  O12  1  0.494  0.073  0.284  1.0
  O  O13  1  0.199  0.448  0.267  1.0
  O  O14  1  0.431  0.877  0.694  1.0
  O  O15  1  0.749  0.555  0.688  1.0
  O  O16  1  0.110  0.197  0.688  1.0
  O  O17  1  0.050  0.018  0.993  1.0
[/CIF]
.