The material described by Li3V5Cr2O12 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(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with three equivalent V(3)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are four inequivalent V sites. In the first V site, V(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 VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(3), 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(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with three equivalent V(4)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(4), 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(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(3), 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(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)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 4-15°. In the second Cr site, Cr(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), one V(3), and one Cr(1) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(1)Li2V2Cr square pyramid, corners with two equivalent O(4)Li2V2Cr square pyramids, corners with two equivalent O(5)Li2V2Cr square pyramids, corners with two equivalent O(3)LiV3Cr square pyramids, corners with two equivalent O(6)LiV3Cr square pyramids,  an edgeedge with one O(1)Li2V2Cr square pyramid,  an edgeedge with one O(2)LiV3Cr square pyramid, edges with three equivalent O(4)Li2V2Cr square pyramids, and edges with three equivalent O(5)Li2V2Cr 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 Cr(2) atom to form OLiV3Cr square pyramids that share  a cornercorner with one O(2)LiV3Cr square pyramid, corners with two equivalent O(4)Li2V2Cr square pyramids, corners with two equivalent O(5)Li2V2Cr square pyramids, corners with two equivalent O(3)LiV3Cr square pyramids, corners with two equivalent O(6)LiV3Cr square pyramids,  an edgeedge with one O(1)Li2V2Cr square pyramid,  an edgeedge with one O(2)LiV3Cr square pyramid, edges with three equivalent O(3)LiV3Cr square pyramids, and edges with three equivalent O(6)LiV3Cr square pyramids. In the third O site, O(3) is bonded to one Li(1), one V(1), one V(2), one V(4), and one Cr(2) atom to form OLiV3Cr square pyramids that share  a cornercorner with one O(3)LiV3Cr square pyramid, corners with two equivalent O(1)Li2V2Cr square pyramids, corners with two equivalent O(5)Li2V2Cr square pyramids, corners with two equivalent O(2)LiV3Cr square pyramids, corners with two equivalent O(6)LiV3Cr square pyramids,  an edgeedge with one O(4)Li2V2Cr square pyramid,  an edgeedge with one O(3)LiV3Cr square pyramid, edges with three equivalent O(2)LiV3Cr square pyramids, and edges with three equivalent O(6)LiV3Cr square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one V(1), one V(3), and one Cr(1) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(4)Li2V2Cr square pyramid, corners with two equivalent O(1)Li2V2Cr square pyramids, corners with two equivalent O(5)Li2V2Cr square pyramids, corners with two equivalent O(2)LiV3Cr square pyramids, corners with two equivalent O(6)LiV3Cr square pyramids,  an edgeedge with one O(4)Li2V2Cr square pyramid,  an edgeedge with one O(3)LiV3Cr square pyramid, edges with three equivalent O(1)Li2V2Cr square pyramids, and edges with three equivalent O(5)Li2V2Cr square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one V(1), one V(3), and one Cr(1) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(5)Li2V2Cr square pyramid, corners with two equivalent O(1)Li2V2Cr square pyramids, corners with two equivalent O(4)Li2V2Cr square pyramids, corners with two equivalent O(2)LiV3Cr square pyramids, corners with two equivalent O(3)LiV3Cr square pyramids,  an edgeedge with one O(5)Li2V2Cr square pyramid,  an edgeedge with one O(6)LiV3Cr square pyramid, edges with three equivalent O(1)Li2V2Cr square pyramids, and edges with three equivalent O(4)Li2V2Cr square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one V(1), one V(2), one V(4), and one Cr(2) atom to form OLiV3Cr square pyramids that share  a cornercorner with one O(6)LiV3Cr square pyramid, corners with two equivalent O(1)Li2V2Cr square pyramids, corners with two equivalent O(4)Li2V2Cr square pyramids, corners with two equivalent O(2)LiV3Cr square pyramids, corners with two equivalent O(3)LiV3Cr square pyramids,  an edgeedge with one O(5)Li2V2Cr square pyramid,  an edgeedge with one O(6)LiV3Cr square pyramid, edges with three equivalent O(2)LiV3Cr square pyramids, and edges with three equivalent O(3)LiV3Cr square pyramids. is represented by the CIF card [CIF]
data_Li3V5Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   5.231
_cell_length_c   9.954
_cell_angle_alpha   84.193
_cell_angle_beta   84.193
_cell_angle_gamma   121.383
_symmetry_Int_Tables_number   1
_cell_volume   227.528
_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  0.681  0.842  0.237  1.0
  Li  Li1  1  0.158  0.319  0.763  1.0
  Li  Li2  1  0.078  0.922  0.000  1.0
  V  V3  1  0.000  0.516  0.236  1.0
  V  V4  1  0.918  0.082  0.500  1.0
  V  V5  1  0.432  0.568  0.000  1.0
  V  V6  1  0.484  1.000  0.764  1.0
  V  V7  1  0.576  0.424  0.500  1.0
  Cr  Cr8  1  0.752  0.248  0.000  1.0
  Cr  Cr9  1  0.243  0.757  0.500  1.0
  O  O10  1  0.775  0.979  0.880  1.0
  O  O11  1  0.857  0.359  0.613  1.0
  O  O12  1  0.522  0.725  0.613  1.0
  O  O13  1  0.388  0.838  0.117  1.0
  O  O14  1  0.732  0.540  0.117  1.0
  O  O15  1  0.952  0.782  0.387  1.0
  O  O16  1  0.021  0.225  0.120  1.0
  O  O17  1  0.641  0.143  0.387  1.0
  O  O18  1  0.275  0.478  0.387  1.0
  O  O19  1  0.162  0.612  0.883  1.0
  O  O20  1  0.460  0.268  0.883  1.0
  O  O21  1  0.218  0.048  0.613  1.0
[/CIF]
.
The material described by Li3V5Cr2O12 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(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with three equivalent V(3)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are four inequivalent V sites. In the first V site, V(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 VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(3), 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(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with three equivalent V(4)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(4), 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(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(3), 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(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)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 4-15°. In the second Cr site, Cr(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), one V(3), and one Cr(1) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(1)Li2V2Cr square pyramid, corners with two equivalent O(4)Li2V2Cr square pyramids, corners with two equivalent O(5)Li2V2Cr square pyramids, corners with two equivalent O(3)LiV3Cr square pyramids, corners with two equivalent O(6)LiV3Cr square pyramids,  an edgeedge with one O(1)Li2V2Cr square pyramid,  an edgeedge with one O(2)LiV3Cr square pyramid, edges with three equivalent O(4)Li2V2Cr square pyramids, and edges with three equivalent O(5)Li2V2Cr 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 Cr(2) atom to form OLiV3Cr square pyramids that share  a cornercorner with one O(2)LiV3Cr square pyramid, corners with two equivalent O(4)Li2V2Cr square pyramids, corners with two equivalent O(5)Li2V2Cr square pyramids, corners with two equivalent O(3)LiV3Cr square pyramids, corners with two equivalent O(6)LiV3Cr square pyramids,  an edgeedge with one O(1)Li2V2Cr square pyramid,  an edgeedge with one O(2)LiV3Cr square pyramid, edges with three equivalent O(3)LiV3Cr square pyramids, and edges with three equivalent O(6)LiV3Cr square pyramids. In the third O site, O(3) is bonded to one Li(1), one V(1), one V(2), one V(4), and one Cr(2) atom to form OLiV3Cr square pyramids that share  a cornercorner with one O(3)LiV3Cr square pyramid, corners with two equivalent O(1)Li2V2Cr square pyramids, corners with two equivalent O(5)Li2V2Cr square pyramids, corners with two equivalent O(2)LiV3Cr square pyramids, corners with two equivalent O(6)LiV3Cr square pyramids,  an edgeedge with one O(4)Li2V2Cr square pyramid,  an edgeedge with one O(3)LiV3Cr square pyramid, edges with three equivalent O(2)LiV3Cr square pyramids, and edges with three equivalent O(6)LiV3Cr square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one V(1), one V(3), and one Cr(1) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(4)Li2V2Cr square pyramid, corners with two equivalent O(1)Li2V2Cr square pyramids, corners with two equivalent O(5)Li2V2Cr square pyramids, corners with two equivalent O(2)LiV3Cr square pyramids, corners with two equivalent O(6)LiV3Cr square pyramids,  an edgeedge with one O(4)Li2V2Cr square pyramid,  an edgeedge with one O(3)LiV3Cr square pyramid, edges with three equivalent O(1)Li2V2Cr square pyramids, and edges with three equivalent O(5)Li2V2Cr square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one V(1), one V(3), and one Cr(1) atom to form OLi2V2Cr square pyramids that share  a cornercorner with one O(5)Li2V2Cr square pyramid, corners with two equivalent O(1)Li2V2Cr square pyramids, corners with two equivalent O(4)Li2V2Cr square pyramids, corners with two equivalent O(2)LiV3Cr square pyramids, corners with two equivalent O(3)LiV3Cr square pyramids,  an edgeedge with one O(5)Li2V2Cr square pyramid,  an edgeedge with one O(6)LiV3Cr square pyramid, edges with three equivalent O(1)Li2V2Cr square pyramids, and edges with three equivalent O(4)Li2V2Cr square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one V(1), one V(2), one V(4), and one Cr(2) atom to form OLiV3Cr square pyramids that share  a cornercorner with one O(6)LiV3Cr square pyramid, corners with two equivalent O(1)Li2V2Cr square pyramids, corners with two equivalent O(4)Li2V2Cr square pyramids, corners with two equivalent O(2)LiV3Cr square pyramids, corners with two equivalent O(3)LiV3Cr square pyramids,  an edgeedge with one O(5)Li2V2Cr square pyramid,  an edgeedge with one O(6)LiV3Cr square pyramid, edges with three equivalent O(2)LiV3Cr square pyramids, and edges with three equivalent O(3)LiV3Cr square pyramids. is represented by the CIF card [CIF]
data_Li3V5Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   5.231
_cell_length_c   9.954
_cell_angle_alpha   84.193
_cell_angle_beta   84.193
_cell_angle_gamma   121.383
_symmetry_Int_Tables_number   1
_cell_volume   227.528
_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  0.681  0.842  0.237  1.0
  Li  Li1  1  0.158  0.319  0.763  1.0
  Li  Li2  1  0.078  0.922  0.000  1.0
  V  V3  1  0.000  0.516  0.236  1.0
  V  V4  1  0.918  0.082  0.500  1.0
  V  V5  1  0.432  0.568  0.000  1.0
  V  V6  1  0.484  1.000  0.764  1.0
  V  V7  1  0.576  0.424  0.500  1.0
  Cr  Cr8  1  0.752  0.248  0.000  1.0
  Cr  Cr9  1  0.243  0.757  0.500  1.0
  O  O10  1  0.775  0.979  0.880  1.0
  O  O11  1  0.857  0.359  0.613  1.0
  O  O12  1  0.522  0.725  0.613  1.0
  O  O13  1  0.388  0.838  0.117  1.0
  O  O14  1  0.732  0.540  0.117  1.0
  O  O15  1  0.952  0.782  0.387  1.0
  O  O16  1  0.021  0.225  0.120  1.0
  O  O17  1  0.641  0.143  0.387  1.0
  O  O18  1  0.275  0.478  0.387  1.0
  O  O19  1  0.162  0.612  0.883  1.0
  O  O20  1  0.460  0.268  0.883  1.0
  O  O21  1  0.218  0.048  0.613  1.0
[/CIF]
.