The material described by Li2WMn3O8 is Spinel-derived structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra and corners with nine equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the second Li site, Li(2) is bonded to one O(4) and three equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. W(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one W(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one W(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded to one Li(1) and three equivalent Mn(1) atoms to form distorted corner-sharing OLiMn3 tetrahedra. In the fourth O site, O(4) is bonded to one Li(2) and three equivalent Mn(1) atoms to form corner-sharing OLiMn3 tetrahedra. is represented by the CIF file [CIF]
data_Li2Mn3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.913
_cell_length_b   5.913
_cell_length_c   9.711
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   293.997
_cell_formula_units_Z   2
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  0.333  0.667  0.909  1.0
  Li  Li1  1  0.000  1.000  0.985  1.0
  Li  Li2  1  0.000  1.000  0.485  1.0
  Li  Li3  1  0.667  0.333  0.409  1.0
  Mn  Mn4  1  0.170  0.830  0.213  1.0
  Mn  Mn5  1  0.170  0.340  0.213  1.0
  Mn  Mn6  1  0.660  0.830  0.213  1.0
  Mn  Mn7  1  0.340  0.170  0.713  1.0
  Mn  Mn8  1  0.830  0.660  0.713  1.0
  Mn  Mn9  1  0.830  0.170  0.713  1.0
  W  W10  1  0.333  0.667  0.487  1.0
  W  W11  1  0.667  0.333  0.987  1.0
  O  O12  1  0.172  0.828  0.586  1.0
  O  O13  1  0.038  0.519  0.354  1.0
  O  O14  1  0.333  0.667  0.116  1.0
  O  O15  1  1.000  0.000  0.298  1.0
  O  O16  1  1.000  0.000  0.798  1.0
  O  O17  1  0.172  0.343  0.586  1.0
  O  O18  1  0.481  0.962  0.354  1.0
  O  O19  1  0.481  0.519  0.354  1.0
  O  O20  1  0.343  0.172  0.086  1.0
  O  O21  1  0.657  0.828  0.586  1.0
  O  O22  1  0.519  0.481  0.854  1.0
  O  O23  1  0.519  0.038  0.854  1.0
  O  O24  1  0.667  0.333  0.616  1.0
  O  O25  1  0.828  0.657  0.086  1.0
  O  O26  1  0.962  0.481  0.854  1.0
  O  O27  1  0.828  0.172  0.086  1.0
[/CIF]
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The material described by Li2WMn3O8 is Spinel-derived structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra and corners with nine equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the second Li site, Li(2) is bonded to one O(4) and three equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. W(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one W(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one W(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded to one Li(1) and three equivalent Mn(1) atoms to form distorted corner-sharing OLiMn3 tetrahedra. In the fourth O site, O(4) is bonded to one Li(2) and three equivalent Mn(1) atoms to form corner-sharing OLiMn3 tetrahedra. is represented by the CIF file [CIF]
data_Li2Mn3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.913
_cell_length_b   5.913
_cell_length_c   9.711
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   293.997
_cell_formula_units_Z   2
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  0.333  0.667  0.909  1.0
  Li  Li1  1  0.000  1.000  0.985  1.0
  Li  Li2  1  0.000  1.000  0.485  1.0
  Li  Li3  1  0.667  0.333  0.409  1.0
  Mn  Mn4  1  0.170  0.830  0.213  1.0
  Mn  Mn5  1  0.170  0.340  0.213  1.0
  Mn  Mn6  1  0.660  0.830  0.213  1.0
  Mn  Mn7  1  0.340  0.170  0.713  1.0
  Mn  Mn8  1  0.830  0.660  0.713  1.0
  Mn  Mn9  1  0.830  0.170  0.713  1.0
  W  W10  1  0.333  0.667  0.487  1.0
  W  W11  1  0.667  0.333  0.987  1.0
  O  O12  1  0.172  0.828  0.586  1.0
  O  O13  1  0.038  0.519  0.354  1.0
  O  O14  1  0.333  0.667  0.116  1.0
  O  O15  1  1.000  0.000  0.298  1.0
  O  O16  1  1.000  0.000  0.798  1.0
  O  O17  1  0.172  0.343  0.586  1.0
  O  O18  1  0.481  0.962  0.354  1.0
  O  O19  1  0.481  0.519  0.354  1.0
  O  O20  1  0.343  0.172  0.086  1.0
  O  O21  1  0.657  0.828  0.586  1.0
  O  O22  1  0.519  0.481  0.854  1.0
  O  O23  1  0.519  0.038  0.854  1.0
  O  O24  1  0.667  0.333  0.616  1.0
  O  O25  1  0.828  0.657  0.086  1.0
  O  O26  1  0.962  0.481  0.854  1.0
  O  O27  1  0.828  0.172  0.086  1.0
[/CIF]
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