The compound described by Li4V3MnO12 is Ilmenite-derived structured and crystallizes in the monoclinic P2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form distorted LiO6 pentagonal pyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form distorted LiO6 pentagonal pyramids that share corners with two equivalent V(3)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted VO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Li(3)O6 pentagonal pyramids, edges with two equivalent V(3)O6 octahedra, and  an edgeedge with one Li(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 43°. In the second V site, V(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with four equivalent Li(2)O6 pentagonal pyramids, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 43°. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Li(3)O6 pentagonal pyramids, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Li(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 43°. Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Li(2)O6 pentagonal pyramids, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Li(3)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 43°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one V(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one V(3) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one V(2), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OLi2MnV trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one V(1), and one V(3) atom. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one V(2), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OLi2MnV tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(2), and one V(3) atom. is represented by the CIF file [CIF]
data_Li4MnV3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.914
_cell_length_b   4.927
_cell_length_c   8.320
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.735
_symmetry_Int_Tables_number   1
_cell_volume   201.431
_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  0.000  0.000  0.696  1.0
  Li  Li1  1  0.000  0.500  0.812  1.0
  Li  Li2  1  0.500  0.000  0.314  1.0
  Li  Li3  1  0.500  0.500  0.189  1.0
  Mn  Mn4  1  0.000  0.000  0.098  1.0
  V  V5  1  0.000  0.500  0.400  1.0
  V  V6  1  0.500  0.000  0.894  1.0
  V  V7  1  0.500  0.500  0.587  1.0
  O  O8  1  0.141  0.259  0.264  1.0
  O  O9  1  0.180  0.309  0.591  1.0
  O  O10  1  0.179  0.200  0.933  1.0
  O  O11  1  0.326  0.705  0.432  1.0
  O  O12  1  0.339  0.821  0.093  1.0
  O  O13  1  0.360  0.751  0.762  1.0
  O  O14  1  0.640  0.249  0.762  1.0
  O  O15  1  0.661  0.179  0.093  1.0
  O  O16  1  0.674  0.295  0.432  1.0
  O  O17  1  0.821  0.800  0.933  1.0
  O  O18  1  0.820  0.691  0.591  1.0
  O  O19  1  0.859  0.741  0.264  1.0
[/CIF]
.
The compound described by Li4V3MnO12 is Ilmenite-derived structured and crystallizes in the monoclinic P2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form distorted LiO6 pentagonal pyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form distorted LiO6 pentagonal pyramids that share corners with two equivalent V(3)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted VO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Li(3)O6 pentagonal pyramids, edges with two equivalent V(3)O6 octahedra, and  an edgeedge with one Li(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 43°. In the second V site, V(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with four equivalent Li(2)O6 pentagonal pyramids, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 43°. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Li(3)O6 pentagonal pyramids, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Li(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 43°. Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Li(2)O6 pentagonal pyramids, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Li(3)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 43°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one V(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one V(3) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one V(2), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OLi2MnV trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one V(1), and one V(3) atom. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one V(2), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OLi2MnV tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(2), and one V(3) atom. is represented by the CIF file [CIF]
data_Li4MnV3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.914
_cell_length_b   4.927
_cell_length_c   8.320
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.735
_symmetry_Int_Tables_number   1
_cell_volume   201.431
_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  0.000  0.000  0.696  1.0
  Li  Li1  1  0.000  0.500  0.812  1.0
  Li  Li2  1  0.500  0.000  0.314  1.0
  Li  Li3  1  0.500  0.500  0.189  1.0
  Mn  Mn4  1  0.000  0.000  0.098  1.0
  V  V5  1  0.000  0.500  0.400  1.0
  V  V6  1  0.500  0.000  0.894  1.0
  V  V7  1  0.500  0.500  0.587  1.0
  O  O8  1  0.141  0.259  0.264  1.0
  O  O9  1  0.180  0.309  0.591  1.0
  O  O10  1  0.179  0.200  0.933  1.0
  O  O11  1  0.326  0.705  0.432  1.0
  O  O12  1  0.339  0.821  0.093  1.0
  O  O13  1  0.360  0.751  0.762  1.0
  O  O14  1  0.640  0.249  0.762  1.0
  O  O15  1  0.661  0.179  0.093  1.0
  O  O16  1  0.674  0.295  0.432  1.0
  O  O17  1  0.821  0.800  0.933  1.0
  O  O18  1  0.820  0.691  0.591  1.0
  O  O19  1  0.859  0.741  0.264  1.0
[/CIF]
.