The compound described by Li2NbMn3O8 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 Nb(1)O6 octahedra and corners with nine equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. Nb(1) is bonded to six equivalent O(2) atoms to form NbO6 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 Nb(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 Nb(1), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Li2Mn3NbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.028
_cell_length_b   6.028
_cell_length_c   6.172
_cell_angle_alpha   119.237
_cell_angle_beta   89.997
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   160.401
_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  0.874  0.748  0.623  1.0
  Li  Li1  1  0.126  0.252  0.377  1.0
  Mn  Mn2  1  0.500  0.000  1.000  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Nb  Nb5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.726  0.452  0.178  1.0
  O  O7  1  0.274  0.548  0.822  1.0
  O  O8  1  0.275  0.009  0.744  1.0
  O  O9  1  0.734  0.009  0.744  1.0
  O  O10  1  0.734  0.469  0.744  1.0
  O  O11  1  0.266  0.531  0.256  1.0
  O  O12  1  0.266  0.991  0.256  1.0
  O  O13  1  0.725  0.991  0.256  1.0
[/CIF]
.
The compound described by Li2NbMn3O8 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 Nb(1)O6 octahedra and corners with nine equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. Nb(1) is bonded to six equivalent O(2) atoms to form NbO6 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 Nb(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 Nb(1), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Li2Mn3NbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.028
_cell_length_b   6.028
_cell_length_c   6.172
_cell_angle_alpha   119.237
_cell_angle_beta   89.997
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   160.401
_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  0.874  0.748  0.623  1.0
  Li  Li1  1  0.126  0.252  0.377  1.0
  Mn  Mn2  1  0.500  0.000  1.000  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Nb  Nb5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.726  0.452  0.178  1.0
  O  O7  1  0.274  0.548  0.822  1.0
  O  O8  1  0.275  0.009  0.744  1.0
  O  O9  1  0.734  0.009  0.744  1.0
  O  O10  1  0.734  0.469  0.744  1.0
  O  O11  1  0.266  0.531  0.256  1.0
  O  O12  1  0.266  0.991  0.256  1.0
  O  O13  1  0.725  0.991  0.256  1.0
[/CIF]
.