The crystal structure described by Li2WMn3O8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) 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 56-62°. W(1) is bonded to six equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Mn(1)O6 octahedra. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent W(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Mn(1) atoms to form corner-sharing OLiMn3 tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one W(1), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Li2Mn3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.092
_cell_length_b   6.092
_cell_length_c   6.217
_cell_angle_alpha   60.704
_cell_angle_beta   60.706
_cell_angle_gamma   60.054
_symmetry_Int_Tables_number   1
_cell_volume   164.949
_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  0.135  0.135  0.595  1.0
  Li  Li1  1  0.865  0.865  0.405  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.000  1.000  1.0
  Mn  Mn4  1  0.000  0.500  1.000  1.0
  O  O5  1  0.274  0.273  0.180  1.0
  O  O6  1  0.726  0.727  0.820  1.0
  O  O7  1  0.723  0.274  0.728  1.0
  O  O8  1  0.274  0.723  0.728  1.0
  O  O9  1  0.274  0.274  0.728  1.0
  O  O10  1  0.726  0.726  0.272  1.0
  O  O11  1  0.726  0.277  0.272  1.0
  O  O12  1  0.277  0.726  0.272  1.0
  W  W13  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Li2WMn3O8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) 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 56-62°. W(1) is bonded to six equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Mn(1)O6 octahedra. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent W(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Mn(1) atoms to form corner-sharing OLiMn3 tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one W(1), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Li2Mn3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.092
_cell_length_b   6.092
_cell_length_c   6.217
_cell_angle_alpha   60.704
_cell_angle_beta   60.706
_cell_angle_gamma   60.054
_symmetry_Int_Tables_number   1
_cell_volume   164.949
_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  0.135  0.135  0.595  1.0
  Li  Li1  1  0.865  0.865  0.405  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.000  1.000  1.0
  Mn  Mn4  1  0.000  0.500  1.000  1.0
  O  O5  1  0.274  0.273  0.180  1.0
  O  O6  1  0.726  0.727  0.820  1.0
  O  O7  1  0.723  0.274  0.728  1.0
  O  O8  1  0.274  0.723  0.728  1.0
  O  O9  1  0.274  0.274  0.728  1.0
  O  O10  1  0.726  0.726  0.272  1.0
  O  O11  1  0.726  0.277  0.272  1.0
  O  O12  1  0.277  0.726  0.272  1.0
  W  W13  1  0.500  0.500  0.500  1.0
[/CIF]
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