The structure described by LiMnVO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. 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 V(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one Mn(1) atom. is represented by the CIF file [CIF]
data_LiMnVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.011
_cell_length_b   6.012
_cell_length_c   6.012
_cell_angle_alpha   61.806
_cell_angle_beta   88.622
_cell_angle_gamma   120.232
_symmetry_Int_Tables_number   1
_cell_volume   155.334
_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  0.500  1.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  1.000  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  V  V4  1  0.122  0.250  0.128  1.0
  V  V5  1  0.878  0.750  0.872  1.0
  O  O6  1  0.755  0.005  0.250  1.0
  O  O7  1  0.759  0.519  0.222  1.0
  O  O8  1  0.241  0.019  0.240  1.0
  O  O9  1  0.245  0.495  0.250  1.0
  O  O10  1  0.755  0.505  0.750  1.0
  O  O11  1  0.759  0.981  0.760  1.0
  O  O12  1  0.241  0.481  0.778  1.0
  O  O13  1  0.245  0.995  0.750  1.0
[/CIF]
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The structure described by LiMnVO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. 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 V(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one Mn(1) atom. is represented by the CIF file [CIF]
data_LiMnVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.011
_cell_length_b   6.012
_cell_length_c   6.012
_cell_angle_alpha   61.806
_cell_angle_beta   88.622
_cell_angle_gamma   120.232
_symmetry_Int_Tables_number   1
_cell_volume   155.334
_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  0.500  1.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  1.000  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  V  V4  1  0.122  0.250  0.128  1.0
  V  V5  1  0.878  0.750  0.872  1.0
  O  O6  1  0.755  0.005  0.250  1.0
  O  O7  1  0.759  0.519  0.222  1.0
  O  O8  1  0.241  0.019  0.240  1.0
  O  O9  1  0.245  0.495  0.250  1.0
  O  O10  1  0.755  0.505  0.750  1.0
  O  O11  1  0.759  0.981  0.760  1.0
  O  O12  1  0.241  0.481  0.778  1.0
  O  O13  1  0.245  0.995  0.750  1.0
[/CIF]
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