The structure described by Li2WMnO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. 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. The corner-sharing octahedral tilt angles are 36°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one W(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one W(1), and one Mn(1) atom. is represented by the CIF file [CIF]
data_Li2MnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   5.090
_cell_length_c   5.336
_cell_angle_alpha   90.009
_cell_angle_beta   118.476
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   99.954
_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  0.432  0.716  0.148  1.0
  Li  Li1  1  0.432  0.216  0.648  1.0
  Mn  Mn2  1  0.999  0.999  0.998  1.0
  O  O3  1  0.896  0.636  0.767  1.0
  O  O4  1  0.507  0.871  0.767  1.0
  O  O5  1  0.130  0.259  0.767  1.0
  O  O6  1  0.897  0.764  0.267  1.0
  O  O7  1  0.503  0.133  0.266  1.0
  O  O8  1  0.133  0.369  0.267  1.0
  W  W9  1  1.000  0.500  0.499  1.0
[/CIF]
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The structure described by Li2WMnO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. 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. The corner-sharing octahedral tilt angles are 36°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one W(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one W(1), and one Mn(1) atom. is represented by the CIF file [CIF]
data_Li2MnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   5.090
_cell_length_c   5.336
_cell_angle_alpha   90.009
_cell_angle_beta   118.476
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   99.954
_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  0.432  0.716  0.148  1.0
  Li  Li1  1  0.432  0.216  0.648  1.0
  Mn  Mn2  1  0.999  0.999  0.998  1.0
  O  O3  1  0.896  0.636  0.767  1.0
  O  O4  1  0.507  0.871  0.767  1.0
  O  O5  1  0.130  0.259  0.767  1.0
  O  O6  1  0.897  0.764  0.267  1.0
  O  O7  1  0.503  0.133  0.266  1.0
  O  O8  1  0.133  0.369  0.267  1.0
  W  W9  1  1.000  0.500  0.499  1.0
[/CIF]
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