The structure described by LiMnVO4 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-62°. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. Mn(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-62°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one Mn(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), and one Mn(1) atom to form distorted corner-sharing OLi2MnV trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_LiMnVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.999
_cell_length_b   6.277
_cell_length_c   10.795
_cell_angle_alpha   89.999
_cell_angle_beta   89.996
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   338.748
_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  1.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  1.000  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.515  0.250  0.773  1.0
  Mn  Mn5  1  0.484  0.750  0.227  1.0
  Mn  Mn6  1  0.985  0.250  0.273  1.0
  Mn  Mn7  1  0.015  0.750  0.727  1.0
  V  V8  1  0.075  0.250  0.591  1.0
  V  V9  1  0.925  0.750  0.409  1.0
  V  V10  1  0.425  0.250  0.091  1.0
  V  V11  1  0.575  0.750  0.909  1.0
  O  O12  1  0.212  0.250  0.443  1.0
  O  O13  1  0.288  0.250  0.943  1.0
  O  O14  1  0.788  0.750  0.557  1.0
  O  O15  1  0.712  0.750  0.057  1.0
  O  O16  1  0.773  0.250  0.094  1.0
  O  O17  1  0.727  0.250  0.594  1.0
  O  O18  1  0.273  0.750  0.406  1.0
  O  O19  1  0.227  0.750  0.906  1.0
  O  O20  1  0.277  0.030  0.165  1.0
  O  O21  1  0.223  0.030  0.665  1.0
  O  O22  1  0.277  0.470  0.165  1.0
  O  O23  1  0.223  0.470  0.665  1.0
  O  O24  1  0.723  0.530  0.835  1.0
  O  O25  1  0.777  0.530  0.335  1.0
  O  O26  1  0.777  0.970  0.335  1.0
  O  O27  1  0.723  0.970  0.835  1.0
[/CIF]
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The structure described by LiMnVO4 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-62°. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. Mn(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-62°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one Mn(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), and one Mn(1) atom to form distorted corner-sharing OLi2MnV trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_LiMnVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.999
_cell_length_b   6.277
_cell_length_c   10.795
_cell_angle_alpha   89.999
_cell_angle_beta   89.996
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   338.748
_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  1.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  1.000  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.515  0.250  0.773  1.0
  Mn  Mn5  1  0.484  0.750  0.227  1.0
  Mn  Mn6  1  0.985  0.250  0.273  1.0
  Mn  Mn7  1  0.015  0.750  0.727  1.0
  V  V8  1  0.075  0.250  0.591  1.0
  V  V9  1  0.925  0.750  0.409  1.0
  V  V10  1  0.425  0.250  0.091  1.0
  V  V11  1  0.575  0.750  0.909  1.0
  O  O12  1  0.212  0.250  0.443  1.0
  O  O13  1  0.288  0.250  0.943  1.0
  O  O14  1  0.788  0.750  0.557  1.0
  O  O15  1  0.712  0.750  0.057  1.0
  O  O16  1  0.773  0.250  0.094  1.0
  O  O17  1  0.727  0.250  0.594  1.0
  O  O18  1  0.273  0.750  0.406  1.0
  O  O19  1  0.227  0.750  0.906  1.0
  O  O20  1  0.277  0.030  0.165  1.0
  O  O21  1  0.223  0.030  0.665  1.0
  O  O22  1  0.277  0.470  0.165  1.0
  O  O23  1  0.223  0.470  0.665  1.0
  O  O24  1  0.723  0.530  0.835  1.0
  O  O25  1  0.777  0.530  0.335  1.0
  O  O26  1  0.777  0.970  0.335  1.0
  O  O27  1  0.723  0.970  0.835  1.0
[/CIF]
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