The material structure described by Li4V2Mn3Ni3O16 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-67°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-66°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second V site, V(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted VO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one V(2)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 45°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), one Mn(2), and one Ni(2) atom. In the second O site, O(2) is bonded to one Li(4), one V(1), and two equivalent Mn(1) atoms to form distorted OLiMn2V tetrahedra that share corners with two equivalent O(4)LiMn2Ni tetrahedra, corners with two equivalent O(6)LiMnVNi tetrahedra, and edges with two equivalent O(6)LiMnVNi tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Mn(1), and one Ni(1) atom to form OLiMn2Ni tetrahedra that share corners with two equivalent O(2)LiMn2V tetrahedra and corners with four equivalent O(6)LiMnVNi tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Mn(2), and two equivalent Ni(2) atoms to form OLiMnNi2 tetrahedra that share corners with two equivalent O(12)LiVNi2 tetrahedra and corners with four equivalent O(9)LiMnVNi trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one V(1), one Mn(1), and one Ni(1) atom to form distorted OLiMnVNi tetrahedra that share  a cornercorner with one O(2)LiMn2V tetrahedra,  a cornercorner with one O(6)LiMnVNi tetrahedra, corners with two equivalent O(4)LiMn2Ni tetrahedra,  an edgeedge with one O(2)LiMn2V tetrahedra, and  an edgeedge with one O(6)LiMnVNi tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), and two equivalent Ni(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one V(2), one Mn(2), and one Ni(2) atom to form distorted OLiMnVNi trigonal pyramids that share  a cornercorner with one O(12)LiVNi2 tetrahedra, corners with two equivalent O(5)LiMnNi2 tetrahedra,  a cornercorner with one O(9)LiMnVNi trigonal pyramid,  an edgeedge with one O(12)LiVNi2 tetrahedra, and  an edgeedge with one O(9)LiMnVNi trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Mn(2), and two equivalent Ni(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one Mn(1), and one Ni(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one V(2), and two equivalent Ni(2) atoms to form distorted OLiVNi2 tetrahedra that share corners with two equivalent O(5)LiMnNi2 tetrahedra, corners with two equivalent O(9)LiMnVNi trigonal pyramids, and edges with two equivalent O(9)LiMnVNi trigonal pyramids. is represented by the CIF file [CIF]
data_Li4Mn3V2Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.874
_cell_length_b   5.874
_cell_length_c   9.417
_cell_angle_alpha   88.791
_cell_angle_beta   88.791
_cell_angle_gamma   59.120
_symmetry_Int_Tables_number   1
_cell_volume   278.763
_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  0.668  0.668  0.098  1.0
  Li  Li1  1  0.999  0.999  0.011  1.0
  Li  Li2  1  0.003  0.003  0.503  1.0
  Li  Li3  1  0.329  0.329  0.598  1.0
  Mn  Mn4  1  0.340  0.835  0.784  1.0
  Mn  Mn5  1  0.835  0.340  0.784  1.0
  Mn  Mn6  1  0.176  0.176  0.280  1.0
  V  V7  1  0.669  0.669  0.502  1.0
  V  V8  1  0.355  0.355  0.018  1.0
  Ni  Ni9  1  0.829  0.829  0.786  1.0
  Ni  Ni10  1  0.169  0.662  0.289  1.0
  Ni  Ni11  1  0.662  0.169  0.289  1.0
  O  O12  1  0.352  0.835  0.409  1.0
  O  O13  1  0.519  0.519  0.664  1.0
  O  O14  1  0.656  0.656  0.892  1.0
  O  O15  1  0.005  0.005  0.693  1.0
  O  O16  1  0.009  0.009  0.199  1.0
  O  O17  1  0.835  0.352  0.409  1.0
  O  O18  1  0.505  0.956  0.655  1.0
  O  O19  1  0.956  0.505  0.655  1.0
  O  O20  1  0.160  0.160  0.895  1.0
  O  O21  1  0.826  0.826  0.422  1.0
  O  O22  1  0.042  0.467  0.151  1.0
  O  O23  1  0.467  0.042  0.151  1.0
  O  O24  1  0.325  0.325  0.392  1.0
  O  O25  1  0.176  0.654  0.910  1.0
  O  O26  1  0.482  0.482  0.141  1.0
  O  O27  1  0.654  0.176  0.910  1.0
[/CIF]
.
The material structure described by Li4V2Mn3Ni3O16 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-67°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-66°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second V site, V(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted VO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one V(2)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 45°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), one Mn(2), and one Ni(2) atom. In the second O site, O(2) is bonded to one Li(4), one V(1), and two equivalent Mn(1) atoms to form distorted OLiMn2V tetrahedra that share corners with two equivalent O(4)LiMn2Ni tetrahedra, corners with two equivalent O(6)LiMnVNi tetrahedra, and edges with two equivalent O(6)LiMnVNi tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Mn(1), and one Ni(1) atom to form OLiMn2Ni tetrahedra that share corners with two equivalent O(2)LiMn2V tetrahedra and corners with four equivalent O(6)LiMnVNi tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Mn(2), and two equivalent Ni(2) atoms to form OLiMnNi2 tetrahedra that share corners with two equivalent O(12)LiVNi2 tetrahedra and corners with four equivalent O(9)LiMnVNi trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one V(1), one Mn(1), and one Ni(1) atom to form distorted OLiMnVNi tetrahedra that share  a cornercorner with one O(2)LiMn2V tetrahedra,  a cornercorner with one O(6)LiMnVNi tetrahedra, corners with two equivalent O(4)LiMn2Ni tetrahedra,  an edgeedge with one O(2)LiMn2V tetrahedra, and  an edgeedge with one O(6)LiMnVNi tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(2), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), and two equivalent Ni(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one V(2), one Mn(2), and one Ni(2) atom to form distorted OLiMnVNi trigonal pyramids that share  a cornercorner with one O(12)LiVNi2 tetrahedra, corners with two equivalent O(5)LiMnNi2 tetrahedra,  a cornercorner with one O(9)LiMnVNi trigonal pyramid,  an edgeedge with one O(12)LiVNi2 tetrahedra, and  an edgeedge with one O(9)LiMnVNi trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Mn(2), and two equivalent Ni(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one Mn(1), and one Ni(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one V(2), and two equivalent Ni(2) atoms to form distorted OLiVNi2 tetrahedra that share corners with two equivalent O(5)LiMnNi2 tetrahedra, corners with two equivalent O(9)LiMnVNi trigonal pyramids, and edges with two equivalent O(9)LiMnVNi trigonal pyramids. is represented by the CIF file [CIF]
data_Li4Mn3V2Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.874
_cell_length_b   5.874
_cell_length_c   9.417
_cell_angle_alpha   88.791
_cell_angle_beta   88.791
_cell_angle_gamma   59.120
_symmetry_Int_Tables_number   1
_cell_volume   278.763
_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  0.668  0.668  0.098  1.0
  Li  Li1  1  0.999  0.999  0.011  1.0
  Li  Li2  1  0.003  0.003  0.503  1.0
  Li  Li3  1  0.329  0.329  0.598  1.0
  Mn  Mn4  1  0.340  0.835  0.784  1.0
  Mn  Mn5  1  0.835  0.340  0.784  1.0
  Mn  Mn6  1  0.176  0.176  0.280  1.0
  V  V7  1  0.669  0.669  0.502  1.0
  V  V8  1  0.355  0.355  0.018  1.0
  Ni  Ni9  1  0.829  0.829  0.786  1.0
  Ni  Ni10  1  0.169  0.662  0.289  1.0
  Ni  Ni11  1  0.662  0.169  0.289  1.0
  O  O12  1  0.352  0.835  0.409  1.0
  O  O13  1  0.519  0.519  0.664  1.0
  O  O14  1  0.656  0.656  0.892  1.0
  O  O15  1  0.005  0.005  0.693  1.0
  O  O16  1  0.009  0.009  0.199  1.0
  O  O17  1  0.835  0.352  0.409  1.0
  O  O18  1  0.505  0.956  0.655  1.0
  O  O19  1  0.956  0.505  0.655  1.0
  O  O20  1  0.160  0.160  0.895  1.0
  O  O21  1  0.826  0.826  0.422  1.0
  O  O22  1  0.042  0.467  0.151  1.0
  O  O23  1  0.467  0.042  0.151  1.0
  O  O24  1  0.325  0.325  0.392  1.0
  O  O25  1  0.176  0.654  0.910  1.0
  O  O26  1  0.482  0.482  0.141  1.0
  O  O27  1  0.654  0.176  0.910  1.0
[/CIF]
.