The compound described by LiMn2O4 crystallizes in the orthorhombic Ibam space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share edges with two equivalent Li(1)O6 octahedra and edges with eight equivalent Mn(1)O6 octahedra. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and four equivalent Mn(1) atoms to form a mixture of edge and corner-sharing OLiMn4 square pyramids. In the second O site, O(2) is bonded in a see-saw-like geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.997
_cell_length_b   4.836
_cell_length_c   4.836
_cell_angle_alpha   103.637
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   68.126
_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  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.000  0.758  0.242  1.0
  O  O4  1  1.000  0.242  0.758  1.0
  O  O5  1  0.500  0.712  0.712  1.0
  O  O6  1  0.500  0.288  0.288  1.0
[/CIF]
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The compound described by LiMn2O4 crystallizes in the orthorhombic Ibam space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share edges with two equivalent Li(1)O6 octahedra and edges with eight equivalent Mn(1)O6 octahedra. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and four equivalent Mn(1) atoms to form a mixture of edge and corner-sharing OLiMn4 square pyramids. In the second O site, O(2) is bonded in a see-saw-like geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.997
_cell_length_b   4.836
_cell_length_c   4.836
_cell_angle_alpha   103.637
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   68.126
_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  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.000  0.758  0.242  1.0
  O  O4  1  1.000  0.242  0.758  1.0
  O  O5  1  0.500  0.712  0.712  1.0
  O  O6  1  0.500  0.288  0.288  1.0
[/CIF]
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