The crystal structure described by LiMnVO4 is Spinel-derived structured and crystallizes in the tetragonal P4_322 space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted VO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. Mn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form MnO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-68°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one V(1), and one Mn(1) atom to form distorted OLi2MnV trigonal pyramids that share corners with six equivalent O(1)Li2MnV trigonal pyramids, corners with six equivalent O(2)LiMnV2 trigonal pyramids,  an edgeedge with one O(1)Li2MnV trigonal pyramid, and edges with two equivalent O(2)LiMnV2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent V(1), and one Mn(1) atom to form distorted OLiMnV2 trigonal pyramids that share corners with six equivalent O(1)Li2MnV trigonal pyramids, corners with six equivalent O(2)LiMnV2 trigonal pyramids,  an edgeedge with one O(2)LiMnV2 trigonal pyramid, and edges with two equivalent O(1)Li2MnV trigonal pyramids. is represented by the CIF file [CIF]
data_LiMnVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.086
_cell_length_b   6.086
_cell_length_c   8.359
_cell_angle_alpha   90.001
_cell_angle_beta   89.999
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   309.589
_cell_formula_units_Z   4
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  0.250  0.000  1.0
  Li  Li1  1  0.000  0.750  0.500  1.0
  Li  Li2  1  0.250  0.000  0.250  1.0
  Li  Li3  1  0.750  0.000  0.750  1.0
  Mn  Mn4  1  0.254  0.254  0.625  1.0
  Mn  Mn5  1  0.254  0.746  0.875  1.0
  Mn  Mn6  1  0.746  0.254  0.375  1.0
  Mn  Mn7  1  0.746  0.746  0.125  1.0
  V  V8  1  0.500  0.774  0.500  1.0
  V  V9  1  0.774  0.500  0.750  1.0
  V  V10  1  0.226  0.500  0.250  1.0
  V  V11  1  0.500  0.226  1.000  1.0
  O  O12  1  0.042  0.273  0.258  1.0
  O  O13  1  0.042  0.727  0.242  1.0
  O  O14  1  0.273  0.042  0.992  1.0
  O  O15  1  0.273  0.958  0.508  1.0
  O  O16  1  0.727  0.042  0.008  1.0
  O  O17  1  0.727  0.958  0.492  1.0
  O  O18  1  0.958  0.273  0.742  1.0
  O  O19  1  0.958  0.727  0.758  1.0
  O  O20  1  0.272  0.485  0.026  1.0
  O  O21  1  0.272  0.515  0.475  1.0
  O  O22  1  0.485  0.272  0.224  1.0
  O  O23  1  0.485  0.728  0.276  1.0
  O  O24  1  0.515  0.272  0.775  1.0
  O  O25  1  0.515  0.728  0.724  1.0
  O  O26  1  0.728  0.515  0.526  1.0
  O  O27  1  0.728  0.485  0.975  1.0
[/CIF]
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The crystal structure described by LiMnVO4 is Spinel-derived structured and crystallizes in the tetragonal P4_322 space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted VO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. Mn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form MnO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-68°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one V(1), and one Mn(1) atom to form distorted OLi2MnV trigonal pyramids that share corners with six equivalent O(1)Li2MnV trigonal pyramids, corners with six equivalent O(2)LiMnV2 trigonal pyramids,  an edgeedge with one O(1)Li2MnV trigonal pyramid, and edges with two equivalent O(2)LiMnV2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent V(1), and one Mn(1) atom to form distorted OLiMnV2 trigonal pyramids that share corners with six equivalent O(1)Li2MnV trigonal pyramids, corners with six equivalent O(2)LiMnV2 trigonal pyramids,  an edgeedge with one O(2)LiMnV2 trigonal pyramid, and edges with two equivalent O(1)Li2MnV trigonal pyramids. is represented by the CIF file [CIF]
data_LiMnVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.086
_cell_length_b   6.086
_cell_length_c   8.359
_cell_angle_alpha   90.001
_cell_angle_beta   89.999
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   309.589
_cell_formula_units_Z   4
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  0.250  0.000  1.0
  Li  Li1  1  0.000  0.750  0.500  1.0
  Li  Li2  1  0.250  0.000  0.250  1.0
  Li  Li3  1  0.750  0.000  0.750  1.0
  Mn  Mn4  1  0.254  0.254  0.625  1.0
  Mn  Mn5  1  0.254  0.746  0.875  1.0
  Mn  Mn6  1  0.746  0.254  0.375  1.0
  Mn  Mn7  1  0.746  0.746  0.125  1.0
  V  V8  1  0.500  0.774  0.500  1.0
  V  V9  1  0.774  0.500  0.750  1.0
  V  V10  1  0.226  0.500  0.250  1.0
  V  V11  1  0.500  0.226  1.000  1.0
  O  O12  1  0.042  0.273  0.258  1.0
  O  O13  1  0.042  0.727  0.242  1.0
  O  O14  1  0.273  0.042  0.992  1.0
  O  O15  1  0.273  0.958  0.508  1.0
  O  O16  1  0.727  0.042  0.008  1.0
  O  O17  1  0.727  0.958  0.492  1.0
  O  O18  1  0.958  0.273  0.742  1.0
  O  O19  1  0.958  0.727  0.758  1.0
  O  O20  1  0.272  0.485  0.026  1.0
  O  O21  1  0.272  0.515  0.475  1.0
  O  O22  1  0.485  0.272  0.224  1.0
  O  O23  1  0.485  0.728  0.276  1.0
  O  O24  1  0.515  0.272  0.775  1.0
  O  O25  1  0.515  0.728  0.724  1.0
  O  O26  1  0.728  0.515  0.526  1.0
  O  O27  1  0.728  0.485  0.975  1.0
[/CIF]
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