The structure described by Li7V5O12 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are four 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(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the second Li site, Li(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 LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the third Li site, Li(3) 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(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fourth Li site, Li(4) is bonded to two equivalent O(3), 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 Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with six equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. 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(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)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 4-6°. In the third V site, V(3) is bonded to two equivalent O(3), 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 Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one V(1), and two equivalent V(2) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra, edges with four equivalent O(2)Li3V3 octahedra, and edges with four equivalent O(6)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one V(1), and two equivalent V(2) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra, edges with four equivalent O(1)Li3V3 octahedra, and edges with four equivalent O(6)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and two equivalent V(3) atoms to form OLi4V2 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(6)Li3V3 octahedra,  an edgeedge with one O(3)Li4V2 octahedra, edges with four equivalent O(4)Li4V2 octahedra, and edges with four equivalent O(5)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and two equivalent V(3) atoms to form OLi4V2 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(6)Li3V3 octahedra,  an edgeedge with one O(4)Li4V2 octahedra, edges with four equivalent O(3)Li4V2 octahedra, and edges with four equivalent O(5)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and two equivalent V(3) atoms to form OLi4V2 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(6)Li3V3 octahedra,  an edgeedge with one O(5)Li4V2 octahedra, edges with four equivalent O(3)Li4V2 octahedra, and edges with four equivalent O(4)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one V(1), and two equivalent V(2) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li3V3 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra, edges with four equivalent O(1)Li3V3 octahedra, and edges with four equivalent O(2)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF file [CIF]
data_Li7V5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.089
_cell_length_b   5.165
_cell_length_c   9.906
_cell_angle_alpha   84.722
_cell_angle_beta   100.897
_cell_angle_gamma   119.466
_symmetry_Int_Tables_number   1
_cell_volume   222.591
_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  0.901  0.826  0.747  1.0
  Li  Li1  1  0.409  0.815  0.255  1.0
  Li  Li2  1  0.245  0.487  0.748  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  0.099  0.174  0.253  1.0
  Li  Li5  1  0.755  0.513  0.252  1.0
  Li  Li6  1  0.591  0.185  0.745  1.0
  V  V7  1  0.000  0.500  0.000  1.0
  V  V8  1  0.667  0.834  0.000  1.0
  V  V9  1  0.333  0.166  1.000  1.0
  V  V10  1  0.160  0.820  0.502  1.0
  V  V11  1  0.840  0.180  0.498  1.0
  O  O12  1  0.290  0.833  0.885  1.0
  O  O13  1  0.041  0.833  0.117  1.0
  O  O14  1  0.828  0.848  0.389  1.0
  O  O15  1  0.521  0.848  0.612  1.0
  O  O16  1  0.889  0.494  0.613  1.0
  O  O17  1  0.377  0.499  0.119  1.0
  O  O18  1  0.111  0.506  0.387  1.0
  O  O19  1  0.959  0.167  0.883  1.0
  O  O20  1  0.623  0.501  0.881  1.0
  O  O21  1  0.172  0.152  0.611  1.0
  O  O22  1  0.710  0.167  0.115  1.0
  O  O23  1  0.479  0.152  0.388  1.0
[/CIF]
.
The structure described by Li7V5O12 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are four 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(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the second Li site, Li(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 LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the third Li site, Li(3) 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(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fourth Li site, Li(4) is bonded to two equivalent O(3), 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 Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with six equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. 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(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)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 4-6°. In the third V site, V(3) is bonded to two equivalent O(3), 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 Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one V(1), and two equivalent V(2) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra, edges with four equivalent O(2)Li3V3 octahedra, and edges with four equivalent O(6)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one V(1), and two equivalent V(2) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra, edges with four equivalent O(1)Li3V3 octahedra, and edges with four equivalent O(6)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and two equivalent V(3) atoms to form OLi4V2 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(6)Li3V3 octahedra,  an edgeedge with one O(3)Li4V2 octahedra, edges with four equivalent O(4)Li4V2 octahedra, and edges with four equivalent O(5)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and two equivalent V(3) atoms to form OLi4V2 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(6)Li3V3 octahedra,  an edgeedge with one O(4)Li4V2 octahedra, edges with four equivalent O(3)Li4V2 octahedra, and edges with four equivalent O(5)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and two equivalent V(3) atoms to form OLi4V2 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(6)Li3V3 octahedra,  an edgeedge with one O(5)Li4V2 octahedra, edges with four equivalent O(3)Li4V2 octahedra, and edges with four equivalent O(4)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one V(1), and two equivalent V(2) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(2)Li3V3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(5)Li4V2 octahedra,  an edgeedge with one O(6)Li3V3 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(5)Li4V2 octahedra, edges with four equivalent O(1)Li3V3 octahedra, and edges with four equivalent O(2)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF file [CIF]
data_Li7V5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.089
_cell_length_b   5.165
_cell_length_c   9.906
_cell_angle_alpha   84.722
_cell_angle_beta   100.897
_cell_angle_gamma   119.466
_symmetry_Int_Tables_number   1
_cell_volume   222.591
_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  0.901  0.826  0.747  1.0
  Li  Li1  1  0.409  0.815  0.255  1.0
  Li  Li2  1  0.245  0.487  0.748  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  0.099  0.174  0.253  1.0
  Li  Li5  1  0.755  0.513  0.252  1.0
  Li  Li6  1  0.591  0.185  0.745  1.0
  V  V7  1  0.000  0.500  0.000  1.0
  V  V8  1  0.667  0.834  0.000  1.0
  V  V9  1  0.333  0.166  1.000  1.0
  V  V10  1  0.160  0.820  0.502  1.0
  V  V11  1  0.840  0.180  0.498  1.0
  O  O12  1  0.290  0.833  0.885  1.0
  O  O13  1  0.041  0.833  0.117  1.0
  O  O14  1  0.828  0.848  0.389  1.0
  O  O15  1  0.521  0.848  0.612  1.0
  O  O16  1  0.889  0.494  0.613  1.0
  O  O17  1  0.377  0.499  0.119  1.0
  O  O18  1  0.111  0.506  0.387  1.0
  O  O19  1  0.959  0.167  0.883  1.0
  O  O20  1  0.623  0.501  0.881  1.0
  O  O21  1  0.172  0.152  0.611  1.0
  O  O22  1  0.710  0.167  0.115  1.0
  O  O23  1  0.479  0.152  0.388  1.0
[/CIF]
.