The material described by Li3V5Mn2O12 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the second Li site, Li(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with three equivalent V(3)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-19°. There are four 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(5) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. In the third V site, V(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-17°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-17°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), one V(2), one V(4), and one Mn(2) atom to form OLiMnV3 square pyramids that share  a cornercorner with one O(1)LiMnV3 square pyramid, corners with two equivalent O(3)Li2MnV2 square pyramids, corners with two equivalent O(6)Li2MnV2 square pyramids, corners with two equivalent O(2)LiMnV3 square pyramids, corners with two equivalent O(5)LiMnV3 square pyramids,  an edgeedge with one O(4)Li2MnV2 square pyramid,  an edgeedge with one O(1)LiMnV3 square pyramid, edges with three equivalent O(2)LiMnV3 square pyramids, and edges with three equivalent O(5)LiMnV3 square pyramids. In the second O site, O(2) is bonded to one Li(1), one V(1), one V(2), one V(4), and one Mn(2) atom to form OLiMnV3 square pyramids that share  a cornercorner with one O(2)LiMnV3 square pyramid, corners with two equivalent O(4)Li2MnV2 square pyramids, corners with two equivalent O(6)Li2MnV2 square pyramids, corners with two equivalent O(1)LiMnV3 square pyramids, corners with two equivalent O(5)LiMnV3 square pyramids,  an edgeedge with one O(3)Li2MnV2 square pyramid,  an edgeedge with one O(2)LiMnV3 square pyramid, edges with three equivalent O(1)LiMnV3 square pyramids, and edges with three equivalent O(5)LiMnV3 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one V(3), one V(4), and one Mn(1) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(3)Li2MnV2 square pyramid, corners with two equivalent O(4)Li2MnV2 square pyramids, corners with two equivalent O(6)Li2MnV2 square pyramids, corners with two equivalent O(1)LiMnV3 square pyramids, corners with two equivalent O(5)LiMnV3 square pyramids,  an edgeedge with one O(3)Li2MnV2 square pyramid,  an edgeedge with one O(2)LiMnV3 square pyramid, edges with three equivalent O(4)Li2MnV2 square pyramids, and edges with three equivalent O(6)Li2MnV2 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one V(3), one V(4), and one Mn(1) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(4)Li2MnV2 square pyramid, corners with two equivalent O(3)Li2MnV2 square pyramids, corners with two equivalent O(6)Li2MnV2 square pyramids, corners with two equivalent O(2)LiMnV3 square pyramids, corners with two equivalent O(5)LiMnV3 square pyramids,  an edgeedge with one O(4)Li2MnV2 square pyramid,  an edgeedge with one O(1)LiMnV3 square pyramid, edges with three equivalent O(3)Li2MnV2 square pyramids, and edges with three equivalent O(6)Li2MnV2 square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one V(1), one V(2), one V(4), and one Mn(2) atom to form OLiMnV3 square pyramids that share  a cornercorner with one O(5)LiMnV3 square pyramid, corners with two equivalent O(3)Li2MnV2 square pyramids, corners with two equivalent O(4)Li2MnV2 square pyramids, corners with two equivalent O(1)LiMnV3 square pyramids, corners with two equivalent O(2)LiMnV3 square pyramids,  an edgeedge with one O(6)Li2MnV2 square pyramid,  an edgeedge with one O(5)LiMnV3 square pyramid, edges with three equivalent O(1)LiMnV3 square pyramids, and edges with three equivalent O(2)LiMnV3 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one V(3), one V(4), and one Mn(1) atom to form distorted OLi2MnV2 square pyramids that share  a cornercorner with one O(6)Li2MnV2 square pyramid, corners with two equivalent O(3)Li2MnV2 square pyramids, corners with two equivalent O(4)Li2MnV2 square pyramids, corners with two equivalent O(1)LiMnV3 square pyramids, corners with two equivalent O(2)LiMnV3 square pyramids,  an edgeedge with one O(6)Li2MnV2 square pyramid,  an edgeedge with one O(5)LiMnV3 square pyramid, edges with three equivalent O(3)Li2MnV2 square pyramids, and edges with three equivalent O(4)Li2MnV2 square pyramids. is represented by the CIF file [CIF]
data_Li3Mn2V5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   5.231
_cell_length_c   9.837
_cell_angle_alpha   85.400
_cell_angle_beta   85.400
_cell_angle_gamma   118.612
_symmetry_Int_Tables_number   1
_cell_volume   233.401
_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  0.682  0.851  0.747  1.0
  Li  Li1  1  0.149  0.318  0.253  1.0
  Li  Li2  1  0.078  0.922  0.500  1.0
  Mn  Mn3  1  0.746  0.254  0.500  1.0
  Mn  Mn4  1  0.240  0.760  0.000  1.0
  V  V5  1  0.916  0.084  0.000  1.0
  V  V6  1  0.577  0.423  0.000  1.0
  V  V7  1  0.419  0.581  0.500  1.0
  V  V8  1  0.501  0.001  0.253  1.0
  V  V9  1  0.999  0.499  0.747  1.0
  O  O10  1  0.842  0.341  0.123  1.0
  O  O11  1  0.659  0.158  0.877  1.0
  O  O12  1  0.918  0.761  0.880  1.0
  O  O13  1  0.733  0.545  0.607  1.0
  O  O14  1  0.455  0.267  0.393  1.0
  O  O15  1  0.760  0.961  0.390  1.0
  O  O16  1  0.557  0.741  0.115  1.0
  O  O17  1  0.239  0.082  0.120  1.0
  O  O18  1  0.376  0.811  0.626  1.0
  O  O19  1  0.259  0.443  0.885  1.0
  O  O20  1  0.039  0.240  0.610  1.0
  O  O21  1  0.189  0.624  0.374  1.0
[/CIF]
.
The material described by Li3V5Mn2O12 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the second Li site, Li(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with three equivalent V(3)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-19°. There are four 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(5) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. In the third V site, V(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-17°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-17°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), one V(2), one V(4), and one Mn(2) atom to form OLiMnV3 square pyramids that share  a cornercorner with one O(1)LiMnV3 square pyramid, corners with two equivalent O(3)Li2MnV2 square pyramids, corners with two equivalent O(6)Li2MnV2 square pyramids, corners with two equivalent O(2)LiMnV3 square pyramids, corners with two equivalent O(5)LiMnV3 square pyramids,  an edgeedge with one O(4)Li2MnV2 square pyramid,  an edgeedge with one O(1)LiMnV3 square pyramid, edges with three equivalent O(2)LiMnV3 square pyramids, and edges with three equivalent O(5)LiMnV3 square pyramids. In the second O site, O(2) is bonded to one Li(1), one V(1), one V(2), one V(4), and one Mn(2) atom to form OLiMnV3 square pyramids that share  a cornercorner with one O(2)LiMnV3 square pyramid, corners with two equivalent O(4)Li2MnV2 square pyramids, corners with two equivalent O(6)Li2MnV2 square pyramids, corners with two equivalent O(1)LiMnV3 square pyramids, corners with two equivalent O(5)LiMnV3 square pyramids,  an edgeedge with one O(3)Li2MnV2 square pyramid,  an edgeedge with one O(2)LiMnV3 square pyramid, edges with three equivalent O(1)LiMnV3 square pyramids, and edges with three equivalent O(5)LiMnV3 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one V(3), one V(4), and one Mn(1) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(3)Li2MnV2 square pyramid, corners with two equivalent O(4)Li2MnV2 square pyramids, corners with two equivalent O(6)Li2MnV2 square pyramids, corners with two equivalent O(1)LiMnV3 square pyramids, corners with two equivalent O(5)LiMnV3 square pyramids,  an edgeedge with one O(3)Li2MnV2 square pyramid,  an edgeedge with one O(2)LiMnV3 square pyramid, edges with three equivalent O(4)Li2MnV2 square pyramids, and edges with three equivalent O(6)Li2MnV2 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one V(3), one V(4), and one Mn(1) atom to form OLi2MnV2 square pyramids that share  a cornercorner with one O(4)Li2MnV2 square pyramid, corners with two equivalent O(3)Li2MnV2 square pyramids, corners with two equivalent O(6)Li2MnV2 square pyramids, corners with two equivalent O(2)LiMnV3 square pyramids, corners with two equivalent O(5)LiMnV3 square pyramids,  an edgeedge with one O(4)Li2MnV2 square pyramid,  an edgeedge with one O(1)LiMnV3 square pyramid, edges with three equivalent O(3)Li2MnV2 square pyramids, and edges with three equivalent O(6)Li2MnV2 square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one V(1), one V(2), one V(4), and one Mn(2) atom to form OLiMnV3 square pyramids that share  a cornercorner with one O(5)LiMnV3 square pyramid, corners with two equivalent O(3)Li2MnV2 square pyramids, corners with two equivalent O(4)Li2MnV2 square pyramids, corners with two equivalent O(1)LiMnV3 square pyramids, corners with two equivalent O(2)LiMnV3 square pyramids,  an edgeedge with one O(6)Li2MnV2 square pyramid,  an edgeedge with one O(5)LiMnV3 square pyramid, edges with three equivalent O(1)LiMnV3 square pyramids, and edges with three equivalent O(2)LiMnV3 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one V(3), one V(4), and one Mn(1) atom to form distorted OLi2MnV2 square pyramids that share  a cornercorner with one O(6)Li2MnV2 square pyramid, corners with two equivalent O(3)Li2MnV2 square pyramids, corners with two equivalent O(4)Li2MnV2 square pyramids, corners with two equivalent O(1)LiMnV3 square pyramids, corners with two equivalent O(2)LiMnV3 square pyramids,  an edgeedge with one O(6)Li2MnV2 square pyramid,  an edgeedge with one O(5)LiMnV3 square pyramid, edges with three equivalent O(3)Li2MnV2 square pyramids, and edges with three equivalent O(4)Li2MnV2 square pyramids. is represented by the CIF file [CIF]
data_Li3Mn2V5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   5.231
_cell_length_c   9.837
_cell_angle_alpha   85.400
_cell_angle_beta   85.400
_cell_angle_gamma   118.612
_symmetry_Int_Tables_number   1
_cell_volume   233.401
_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  0.682  0.851  0.747  1.0
  Li  Li1  1  0.149  0.318  0.253  1.0
  Li  Li2  1  0.078  0.922  0.500  1.0
  Mn  Mn3  1  0.746  0.254  0.500  1.0
  Mn  Mn4  1  0.240  0.760  0.000  1.0
  V  V5  1  0.916  0.084  0.000  1.0
  V  V6  1  0.577  0.423  0.000  1.0
  V  V7  1  0.419  0.581  0.500  1.0
  V  V8  1  0.501  0.001  0.253  1.0
  V  V9  1  0.999  0.499  0.747  1.0
  O  O10  1  0.842  0.341  0.123  1.0
  O  O11  1  0.659  0.158  0.877  1.0
  O  O12  1  0.918  0.761  0.880  1.0
  O  O13  1  0.733  0.545  0.607  1.0
  O  O14  1  0.455  0.267  0.393  1.0
  O  O15  1  0.760  0.961  0.390  1.0
  O  O16  1  0.557  0.741  0.115  1.0
  O  O17  1  0.239  0.082  0.120  1.0
  O  O18  1  0.376  0.811  0.626  1.0
  O  O19  1  0.259  0.443  0.885  1.0
  O  O20  1  0.039  0.240  0.610  1.0
  O  O21  1  0.189  0.624  0.374  1.0
[/CIF]
.