The compound described by Li3V8O11 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(2) atoms 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(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with five equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second Li site, Li(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) 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 V(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent V(4)O6 octahedra, and edges with six equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(3) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with three equivalent Li(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 3-7°. In the second V site, V(2) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)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, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent V(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with five equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the third V site, V(3) is bonded to one O(3), one O(5), one O(6), and three equivalent O(4) atoms to form VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with four equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with three equivalent V(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one V(1), one V(4), and two equivalent V(2) atoms to form OLi2V4 octahedra that share  a cornercorner with one O(2)Li2V4 octahedra,  a cornercorner with one O(5)Li2V4 octahedra,  a cornercorner with one O(6)Li2V4 octahedra,  a cornercorner with one O(3)LiV5 octahedra, corners with two equivalent O(1)Li2V4 octahedra,  an edgeedge with one O(1)Li2V4 octahedra,  an edgeedge with one O(4)LiV5 octahedra, edges with two equivalent O(6)Li2V4 octahedra, edges with three equivalent O(3)LiV5 octahedra, and edges with five equivalent O(2)Li2V4 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), and three equivalent V(2) atoms to form OLi2V4 octahedra that share  a cornercorner with one O(1)Li2V4 octahedra,  a cornercorner with one O(6)Li2V4 octahedra,  a cornercorner with one O(3)LiV5 octahedra,  a cornercorner with one O(4)LiV5 octahedra, corners with two equivalent O(2)Li2V4 octahedra,  an edgeedge with one O(6)Li2V4 octahedra, edges with three equivalent O(2)Li2V4 octahedra, edges with three equivalent O(3)LiV5 octahedra, and edges with five equivalent O(1)Li2V4 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the third O site, O(3) is bonded to one Li(1), one V(2), one V(3), one V(4), and two equivalent V(1) atoms to form OLiV5 octahedra that share  a cornercorner with one O(1)Li2V4 octahedra,  a cornercorner with one O(2)Li2V4 octahedra, corners with two equivalent O(3)LiV5 octahedra, corners with two equivalent O(4)LiV5 octahedra,  an edgeedge with one O(5)Li2V4 octahedra, edges with two equivalent O(4)LiV5 octahedra, edges with three equivalent O(1)Li2V4 octahedra, edges with three equivalent O(2)Li2V4 octahedra, and edges with three equivalent O(6)Li2V4 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth O site, O(4) is bonded to one Li(2), one V(1), one V(4), and three equivalent V(3) atoms to form OLiV5 octahedra that share  a cornercorner with one O(2)Li2V4 octahedra, corners with two equivalent O(3)LiV5 octahedra, corners with three equivalent O(4)LiV5 octahedra,  an edgeedge with one O(1)Li2V4 octahedra, edges with two equivalent O(3)LiV5 octahedra, edges with two equivalent O(4)LiV5 octahedra, edges with three equivalent O(5)Li2V4 octahedra, and edges with four equivalent O(6)Li2V4 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fifth O site, O(5) is bonded to two equivalent Li(2), two equivalent V(3), and two equivalent V(4) atoms to form OLi2V4 octahedra that share corners with two equivalent O(1)Li2V4 octahedra, corners with two equivalent O(5)Li2V4 octahedra, corners with two equivalent O(6)Li2V4 octahedra, edges with two equivalent O(3)LiV5 octahedra, edges with four equivalent O(6)Li2V4 octahedra, and edges with six equivalent O(4)LiV5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one V(1), one V(3), and two equivalent V(4) atoms to form OLi2V4 octahedra that share  a cornercorner with one O(1)Li2V4 octahedra,  a cornercorner with one O(2)Li2V4 octahedra,  a cornercorner with one O(5)Li2V4 octahedra, corners with three equivalent O(6)Li2V4 octahedra,  an edgeedge with one O(2)Li2V4 octahedra, edges with two equivalent O(1)Li2V4 octahedra, edges with two equivalent O(5)Li2V4 octahedra, edges with three equivalent O(3)LiV5 octahedra, and edges with four equivalent O(4)LiV5 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V8O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.262
_cell_length_b   5.262
_cell_length_c   10.901
_cell_angle_alpha   77.213
_cell_angle_beta   77.213
_cell_angle_gamma   48.761
_symmetry_Int_Tables_number   1
_cell_volume   220.130
_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  0.915  0.915  0.634  1.0
  Li  Li1  1  0.085  0.085  0.366  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  V  V3  1  0.183  0.183  0.724  1.0
  V  V4  1  0.632  0.632  0.538  1.0
  V  V5  1  0.368  0.368  0.462  1.0
  V  V6  1  0.817  0.817  0.276  1.0
  V  V7  1  0.273  0.273  0.094  1.0
  V  V8  1  0.544  0.544  0.179  1.0
  V  V9  1  0.456  0.456  0.821  1.0
  V  V10  1  0.727  0.727  0.906  1.0
  O  O11  1  0.414  0.414  0.641  1.0
  O  O12  1  0.148  0.148  0.540  1.0
  O  O13  1  0.669  0.669  0.727  1.0
  O  O14  1  0.331  0.331  0.273  1.0
  O  O15  1  0.586  0.586  0.359  1.0
  O  O16  1  0.852  0.852  0.460  1.0
  O  O17  1  0.761  0.761  0.095  1.0
  O  O18  1  0.500  0.500  0.000  1.0
  O  O19  1  0.045  0.045  0.180  1.0
  O  O20  1  0.955  0.955  0.820  1.0
  O  O21  1  0.239  0.239  0.905  1.0
[/CIF]
.
The compound described by Li3V8O11 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(2) atoms 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(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with five equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second Li site, Li(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) 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 V(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent V(4)O6 octahedra, and edges with six equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(3) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with three equivalent Li(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 3-7°. In the second V site, V(2) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)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, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent V(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and edges with five equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the third V site, V(3) is bonded to one O(3), one O(5), one O(6), and three equivalent O(4) atoms to form VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with four equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with three equivalent V(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one V(1), one V(4), and two equivalent V(2) atoms to form OLi2V4 octahedra that share  a cornercorner with one O(2)Li2V4 octahedra,  a cornercorner with one O(5)Li2V4 octahedra,  a cornercorner with one O(6)Li2V4 octahedra,  a cornercorner with one O(3)LiV5 octahedra, corners with two equivalent O(1)Li2V4 octahedra,  an edgeedge with one O(1)Li2V4 octahedra,  an edgeedge with one O(4)LiV5 octahedra, edges with two equivalent O(6)Li2V4 octahedra, edges with three equivalent O(3)LiV5 octahedra, and edges with five equivalent O(2)Li2V4 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), and three equivalent V(2) atoms to form OLi2V4 octahedra that share  a cornercorner with one O(1)Li2V4 octahedra,  a cornercorner with one O(6)Li2V4 octahedra,  a cornercorner with one O(3)LiV5 octahedra,  a cornercorner with one O(4)LiV5 octahedra, corners with two equivalent O(2)Li2V4 octahedra,  an edgeedge with one O(6)Li2V4 octahedra, edges with three equivalent O(2)Li2V4 octahedra, edges with three equivalent O(3)LiV5 octahedra, and edges with five equivalent O(1)Li2V4 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the third O site, O(3) is bonded to one Li(1), one V(2), one V(3), one V(4), and two equivalent V(1) atoms to form OLiV5 octahedra that share  a cornercorner with one O(1)Li2V4 octahedra,  a cornercorner with one O(2)Li2V4 octahedra, corners with two equivalent O(3)LiV5 octahedra, corners with two equivalent O(4)LiV5 octahedra,  an edgeedge with one O(5)Li2V4 octahedra, edges with two equivalent O(4)LiV5 octahedra, edges with three equivalent O(1)Li2V4 octahedra, edges with three equivalent O(2)Li2V4 octahedra, and edges with three equivalent O(6)Li2V4 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth O site, O(4) is bonded to one Li(2), one V(1), one V(4), and three equivalent V(3) atoms to form OLiV5 octahedra that share  a cornercorner with one O(2)Li2V4 octahedra, corners with two equivalent O(3)LiV5 octahedra, corners with three equivalent O(4)LiV5 octahedra,  an edgeedge with one O(1)Li2V4 octahedra, edges with two equivalent O(3)LiV5 octahedra, edges with two equivalent O(4)LiV5 octahedra, edges with three equivalent O(5)Li2V4 octahedra, and edges with four equivalent O(6)Li2V4 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fifth O site, O(5) is bonded to two equivalent Li(2), two equivalent V(3), and two equivalent V(4) atoms to form OLi2V4 octahedra that share corners with two equivalent O(1)Li2V4 octahedra, corners with two equivalent O(5)Li2V4 octahedra, corners with two equivalent O(6)Li2V4 octahedra, edges with two equivalent O(3)LiV5 octahedra, edges with four equivalent O(6)Li2V4 octahedra, and edges with six equivalent O(4)LiV5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one V(1), one V(3), and two equivalent V(4) atoms to form OLi2V4 octahedra that share  a cornercorner with one O(1)Li2V4 octahedra,  a cornercorner with one O(2)Li2V4 octahedra,  a cornercorner with one O(5)Li2V4 octahedra, corners with three equivalent O(6)Li2V4 octahedra,  an edgeedge with one O(2)Li2V4 octahedra, edges with two equivalent O(1)Li2V4 octahedra, edges with two equivalent O(5)Li2V4 octahedra, edges with three equivalent O(3)LiV5 octahedra, and edges with four equivalent O(4)LiV5 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V8O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.262
_cell_length_b   5.262
_cell_length_c   10.901
_cell_angle_alpha   77.213
_cell_angle_beta   77.213
_cell_angle_gamma   48.761
_symmetry_Int_Tables_number   1
_cell_volume   220.130
_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  0.915  0.915  0.634  1.0
  Li  Li1  1  0.085  0.085  0.366  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  V  V3  1  0.183  0.183  0.724  1.0
  V  V4  1  0.632  0.632  0.538  1.0
  V  V5  1  0.368  0.368  0.462  1.0
  V  V6  1  0.817  0.817  0.276  1.0
  V  V7  1  0.273  0.273  0.094  1.0
  V  V8  1  0.544  0.544  0.179  1.0
  V  V9  1  0.456  0.456  0.821  1.0
  V  V10  1  0.727  0.727  0.906  1.0
  O  O11  1  0.414  0.414  0.641  1.0
  O  O12  1  0.148  0.148  0.540  1.0
  O  O13  1  0.669  0.669  0.727  1.0
  O  O14  1  0.331  0.331  0.273  1.0
  O  O15  1  0.586  0.586  0.359  1.0
  O  O16  1  0.852  0.852  0.460  1.0
  O  O17  1  0.761  0.761  0.095  1.0
  O  O18  1  0.500  0.500  0.000  1.0
  O  O19  1  0.045  0.045  0.180  1.0
  O  O20  1  0.955  0.955  0.820  1.0
  O  O21  1  0.239  0.239  0.905  1.0
[/CIF]
.