The material structure described by LiMnNbO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Nb(1)O6 octahedra and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NbO6 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. 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 Li(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Nb(1), and one Mn(1) atom. is represented by the CIF file [CIF]
data_LiMnNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.181
_cell_length_b   6.315
_cell_length_c   6.227
_cell_angle_alpha   119.542
_cell_angle_beta   90.000
_cell_angle_gamma   119.303
_symmetry_Int_Tables_number   1
_cell_volume   174.844
_cell_formula_units_Z   2
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  0.147  0.295  0.897  1.0
  Li  Li1  1  0.853  0.705  0.103  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Nb  Nb4  1  0.500  1.000  0.000  1.0
  Nb  Nb5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.282  0.563  0.768  1.0
  O  O7  1  0.282  0.563  0.295  1.0
  O  O8  1  0.718  0.437  0.705  1.0
  O  O9  1  0.718  0.437  0.232  1.0
  O  O10  1  0.722  0.005  0.753  1.0
  O  O11  1  0.284  0.005  0.753  1.0
  O  O12  1  0.278  0.995  0.247  1.0
  O  O13  1  0.716  0.995  0.247  1.0
[/CIF]
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The material structure described by LiMnNbO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Nb(1)O6 octahedra and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NbO6 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. 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 Li(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Nb(1), and one Mn(1) atom. is represented by the CIF file [CIF]
data_LiMnNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.181
_cell_length_b   6.315
_cell_length_c   6.227
_cell_angle_alpha   119.542
_cell_angle_beta   90.000
_cell_angle_gamma   119.303
_symmetry_Int_Tables_number   1
_cell_volume   174.844
_cell_formula_units_Z   2
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  0.147  0.295  0.897  1.0
  Li  Li1  1  0.853  0.705  0.103  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Nb  Nb4  1  0.500  1.000  0.000  1.0
  Nb  Nb5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.282  0.563  0.768  1.0
  O  O7  1  0.282  0.563  0.295  1.0
  O  O8  1  0.718  0.437  0.705  1.0
  O  O9  1  0.718  0.437  0.232  1.0
  O  O10  1  0.722  0.005  0.753  1.0
  O  O11  1  0.284  0.005  0.753  1.0
  O  O12  1  0.278  0.995  0.247  1.0
  O  O13  1  0.716  0.995  0.247  1.0
[/CIF]
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