The structure described by LiMn3O4 is Caswellsilverite-like structured and crystallizes in the monoclinic Cm space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with eight equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with eight equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form distorted OLi2Mn4 octahedra that share corners with six equivalent O(2)Li2Mn4 octahedra, edges with two equivalent O(1)Li2Mn4 octahedra, edges with two equivalent O(2)Li2Mn4 octahedra, and edges with eight equivalent O(3)LiMn5 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form OLi2Mn4 octahedra that share corners with six equivalent O(1)Li2Mn4 octahedra, edges with two equivalent O(1)Li2Mn4 octahedra, edges with two equivalent O(2)Li2Mn4 octahedra, and edges with eight equivalent O(3)LiMn5 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(1), one Mn(1), and four equivalent Mn(2) atoms to form OLiMn5 octahedra that share corners with six equivalent O(3)LiMn5 octahedra, edges with four equivalent O(1)Li2Mn4 octahedra, edges with four equivalent O(2)Li2Mn4 octahedra, and edges with four equivalent O(3)LiMn5 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF file [CIF]
data_LiMn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.144
_cell_length_b   5.351
_cell_length_c   5.352
_cell_angle_alpha   107.884
_cell_angle_beta   90.788
_cell_angle_gamma   90.789
_symmetry_Int_Tables_number   1
_cell_volume   85.669
_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  0.521  0.507  0.007  1.0
  Mn  Mn1  1  0.484  1.000  0.500  1.0
  Mn  Mn2  1  0.006  0.002  0.000  1.0
  Mn  Mn3  1  0.006  0.500  0.502  1.0
  O  O4  1  0.910  0.234  0.734  1.0
  O  O5  1  0.070  0.758  0.258  1.0
  O  O6  1  0.501  0.231  0.268  1.0
  O  O7  1  0.501  0.768  0.731  1.0
[/CIF]
.
The structure described by LiMn3O4 is Caswellsilverite-like structured and crystallizes in the monoclinic Cm space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with eight equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with eight equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form distorted OLi2Mn4 octahedra that share corners with six equivalent O(2)Li2Mn4 octahedra, edges with two equivalent O(1)Li2Mn4 octahedra, edges with two equivalent O(2)Li2Mn4 octahedra, and edges with eight equivalent O(3)LiMn5 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form OLi2Mn4 octahedra that share corners with six equivalent O(1)Li2Mn4 octahedra, edges with two equivalent O(1)Li2Mn4 octahedra, edges with two equivalent O(2)Li2Mn4 octahedra, and edges with eight equivalent O(3)LiMn5 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(1), one Mn(1), and four equivalent Mn(2) atoms to form OLiMn5 octahedra that share corners with six equivalent O(3)LiMn5 octahedra, edges with four equivalent O(1)Li2Mn4 octahedra, edges with four equivalent O(2)Li2Mn4 octahedra, and edges with four equivalent O(3)LiMn5 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF file [CIF]
data_LiMn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.144
_cell_length_b   5.351
_cell_length_c   5.352
_cell_angle_alpha   107.884
_cell_angle_beta   90.788
_cell_angle_gamma   90.789
_symmetry_Int_Tables_number   1
_cell_volume   85.669
_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  0.521  0.507  0.007  1.0
  Mn  Mn1  1  0.484  1.000  0.500  1.0
  Mn  Mn2  1  0.006  0.002  0.000  1.0
  Mn  Mn3  1  0.006  0.500  0.502  1.0
  O  O4  1  0.910  0.234  0.734  1.0
  O  O5  1  0.070  0.758  0.258  1.0
  O  O6  1  0.501  0.231  0.268  1.0
  O  O7  1  0.501  0.768  0.731  1.0
[/CIF]
.