The compound described by Li3V7O12 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(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with three equivalent V(3)O6 octahedra, and edges with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are six 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with three equivalent V(4)O6 octahedra, and edges with three equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the second V site, V(2) 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(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fourth V site, V(4) 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the fifth V site, V(5) 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)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 5-11°. In the sixth V site, V(6) 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. 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 V(6) atom to form OLiV4 square pyramids that share  a cornercorner with one O(1)LiV4 square pyramid, corners with two equivalent O(4)Li2V3 square pyramids, corners with two equivalent O(6)Li2V3 square pyramids, corners with two equivalent O(2)LiV4 square pyramids, corners with two equivalent O(5)LiV4 square pyramids,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(1)LiV4 square pyramid, edges with three equivalent O(2)LiV4 square pyramids, and edges with three equivalent O(5)LiV4 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 V(6) atom to form OLiV4 square pyramids that share  a cornercorner with one O(2)LiV4 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids, corners with two equivalent O(4)Li2V3 square pyramids, corners with two equivalent O(1)LiV4 square pyramids, corners with two equivalent O(5)LiV4 square pyramids,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(2)LiV4 square pyramid, edges with three equivalent O(1)LiV4 square pyramids, and edges with three equivalent O(5)LiV4 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one V(2), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(3)Li2V3 square pyramid, corners with two equivalent O(4)Li2V3 square pyramids, corners with two equivalent O(6)Li2V3 square pyramids, corners with two equivalent O(2)LiV4 square pyramids, corners with two equivalent O(5)LiV4 square pyramids,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(1)LiV4 square pyramid, edges with three equivalent O(4)Li2V3 square pyramids, and edges with three equivalent O(6)Li2V3 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one V(2), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(4)Li2V3 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids, corners with two equivalent O(6)Li2V3 square pyramids, corners with two equivalent O(1)LiV4 square pyramids, corners with two equivalent O(2)LiV4 square pyramids,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(5)LiV4 square pyramid, edges with three equivalent O(3)Li2V3 square pyramids, and edges with three equivalent O(6)Li2V3 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 V(6) atom to form OLiV4 square pyramids that share  a cornercorner with one O(5)LiV4 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids, corners with two equivalent O(6)Li2V3 square pyramids, corners with two equivalent O(1)LiV4 square pyramids, corners with two equivalent O(2)LiV4 square pyramids,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(5)LiV4 square pyramid, edges with three equivalent O(1)LiV4 square pyramids, and edges with three equivalent O(2)LiV4 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one V(2), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(6)Li2V3 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids, corners with two equivalent O(4)Li2V3 square pyramids, corners with two equivalent O(1)LiV4 square pyramids, corners with two equivalent O(5)LiV4 square pyramids,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(2)LiV4 square pyramid, edges with three equivalent O(3)Li2V3 square pyramids, and edges with three equivalent O(4)Li2V3 square pyramids. is represented by the CIF card [CIF]
data_Li3V7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.226
_cell_length_b   5.226
_cell_length_c   9.910
_cell_angle_alpha   84.484
_cell_angle_beta   84.484
_cell_angle_gamma   120.280
_symmetry_Int_Tables_number   1
_cell_volume   229.378
_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  0.844  0.676  0.763  1.0
  Li  Li1  1  0.324  0.156  0.237  1.0
  Li  Li2  1  0.080  0.920  0.000  1.0
  V  V3  1  0.915  0.085  0.500  1.0
  V  V4  1  0.001  0.519  0.238  1.0
  V  V5  1  0.763  0.237  0.000  1.0
  V  V6  1  0.481  0.999  0.762  1.0
  V  V7  1  0.575  0.425  0.500  1.0
  V  V8  1  0.426  0.574  0.000  1.0
  V  V9  1  0.249  0.751  0.500  1.0
  O  O10  1  0.852  0.370  0.613  1.0
  O  O11  1  0.966  0.788  0.386  1.0
  O  O12  1  0.630  0.148  0.387  1.0
  O  O13  1  0.712  0.505  0.118  1.0
  O  O14  1  0.495  0.288  0.882  1.0
  O  O15  1  0.762  0.945  0.883  1.0
  O  O16  1  0.550  0.733  0.614  1.0
  O  O17  1  0.212  0.034  0.614  1.0
  O  O18  1  0.358  0.847  0.122  1.0
  O  O19  1  0.267  0.450  0.386  1.0
  O  O20  1  0.055  0.238  0.117  1.0
  O  O21  1  0.153  0.642  0.878  1.0
[/CIF]
.
The compound described by Li3V7O12 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(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with three equivalent V(3)O6 octahedra, and edges with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are six 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with three equivalent V(4)O6 octahedra, and edges with three equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the second V site, V(2) 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(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fourth V site, V(4) 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the fifth V site, V(5) 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)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 5-11°. In the sixth V site, V(6) 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. 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 V(6) atom to form OLiV4 square pyramids that share  a cornercorner with one O(1)LiV4 square pyramid, corners with two equivalent O(4)Li2V3 square pyramids, corners with two equivalent O(6)Li2V3 square pyramids, corners with two equivalent O(2)LiV4 square pyramids, corners with two equivalent O(5)LiV4 square pyramids,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(1)LiV4 square pyramid, edges with three equivalent O(2)LiV4 square pyramids, and edges with three equivalent O(5)LiV4 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 V(6) atom to form OLiV4 square pyramids that share  a cornercorner with one O(2)LiV4 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids, corners with two equivalent O(4)Li2V3 square pyramids, corners with two equivalent O(1)LiV4 square pyramids, corners with two equivalent O(5)LiV4 square pyramids,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(2)LiV4 square pyramid, edges with three equivalent O(1)LiV4 square pyramids, and edges with three equivalent O(5)LiV4 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one V(2), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(3)Li2V3 square pyramid, corners with two equivalent O(4)Li2V3 square pyramids, corners with two equivalent O(6)Li2V3 square pyramids, corners with two equivalent O(2)LiV4 square pyramids, corners with two equivalent O(5)LiV4 square pyramids,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(1)LiV4 square pyramid, edges with three equivalent O(4)Li2V3 square pyramids, and edges with three equivalent O(6)Li2V3 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one V(2), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(4)Li2V3 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids, corners with two equivalent O(6)Li2V3 square pyramids, corners with two equivalent O(1)LiV4 square pyramids, corners with two equivalent O(2)LiV4 square pyramids,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(5)LiV4 square pyramid, edges with three equivalent O(3)Li2V3 square pyramids, and edges with three equivalent O(6)Li2V3 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 V(6) atom to form OLiV4 square pyramids that share  a cornercorner with one O(5)LiV4 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids, corners with two equivalent O(6)Li2V3 square pyramids, corners with two equivalent O(1)LiV4 square pyramids, corners with two equivalent O(2)LiV4 square pyramids,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(5)LiV4 square pyramid, edges with three equivalent O(1)LiV4 square pyramids, and edges with three equivalent O(2)LiV4 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one V(2), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(6)Li2V3 square pyramid, corners with two equivalent O(3)Li2V3 square pyramids, corners with two equivalent O(4)Li2V3 square pyramids, corners with two equivalent O(1)LiV4 square pyramids, corners with two equivalent O(5)LiV4 square pyramids,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(2)LiV4 square pyramid, edges with three equivalent O(3)Li2V3 square pyramids, and edges with three equivalent O(4)Li2V3 square pyramids. is represented by the CIF card [CIF]
data_Li3V7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.226
_cell_length_b   5.226
_cell_length_c   9.910
_cell_angle_alpha   84.484
_cell_angle_beta   84.484
_cell_angle_gamma   120.280
_symmetry_Int_Tables_number   1
_cell_volume   229.378
_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  0.844  0.676  0.763  1.0
  Li  Li1  1  0.324  0.156  0.237  1.0
  Li  Li2  1  0.080  0.920  0.000  1.0
  V  V3  1  0.915  0.085  0.500  1.0
  V  V4  1  0.001  0.519  0.238  1.0
  V  V5  1  0.763  0.237  0.000  1.0
  V  V6  1  0.481  0.999  0.762  1.0
  V  V7  1  0.575  0.425  0.500  1.0
  V  V8  1  0.426  0.574  0.000  1.0
  V  V9  1  0.249  0.751  0.500  1.0
  O  O10  1  0.852  0.370  0.613  1.0
  O  O11  1  0.966  0.788  0.386  1.0
  O  O12  1  0.630  0.148  0.387  1.0
  O  O13  1  0.712  0.505  0.118  1.0
  O  O14  1  0.495  0.288  0.882  1.0
  O  O15  1  0.762  0.945  0.883  1.0
  O  O16  1  0.550  0.733  0.614  1.0
  O  O17  1  0.212  0.034  0.614  1.0
  O  O18  1  0.358  0.847  0.122  1.0
  O  O19  1  0.267  0.450  0.386  1.0
  O  O20  1  0.055  0.238  0.117  1.0
  O  O21  1  0.153  0.642  0.878  1.0
[/CIF]
.