The material structure described by Li2V4Si4O13 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(3), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(11), one O(9), and two equivalent O(12) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the third V site, V(3) is bonded to one O(10), one O(3), one O(7), one O(9), and two equivalent O(8) atoms to form VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, edges with three equivalent V(4)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the fourth V site, V(4) is bonded to one O(10), one O(4), one O(8), one O(9), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent V(3)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(13), and one O(5) atom to form SiO4 tetrahedra that share  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 V(4)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the third Si site, Si(3) is bonded to one O(11), one O(12), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-71°. In the fourth Si site, Si(4) is bonded to one O(1), one O(11), one O(13), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-69°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one V(2), two equivalent V(1), and one Si(4) atom to form distorted OV3Si tetrahedra that share  a cornercorner with one O(7)V3Si tetrahedra, corners with two equivalent O(6)V3Si tetrahedra, corners with three equivalent O(5)LiV2Si tetrahedra,  a cornercorner with one O(2)LiV2Si trigonal pyramid, corners with two equivalent O(4)LiV2Si trigonal pyramids,  an edgeedge with one O(1)V3Si tetrahedra,  an edgeedge with one O(6)V3Si tetrahedra, and  an edgeedge with one O(2)LiV2Si trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one V(1), one V(2), and one Si(1) atom to form OLiV2Si trigonal pyramids that share  a cornercorner with one O(1)V3Si tetrahedra, corners with three equivalent O(5)LiV2Si tetrahedra, corners with three equivalent O(6)V3Si tetrahedra,  a cornercorner with one O(4)LiV2Si trigonal pyramid,  an edgeedge with one O(1)V3Si tetrahedra, and  an edgeedge with one O(4)LiV2Si trigonal pyramid. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one V(2), one V(3), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one V(1), one V(4), and one Si(1) atom to form distorted OLiV2Si trigonal pyramids that share  a cornercorner with one O(6)V3Si tetrahedra, corners with two equivalent O(5)LiV2Si tetrahedra, corners with two equivalent O(1)V3Si tetrahedra, corners with two equivalent O(7)V3Si tetrahedra,  a cornercorner with one O(2)LiV2Si trigonal pyramid, and  an edgeedge with one O(2)LiV2Si trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one V(1), one V(2), and one Si(2) atom to form distorted OLiV2Si tetrahedra that share  a cornercorner with one O(6)V3Si tetrahedra, corners with three equivalent O(1)V3Si tetrahedra, corners with two equivalent O(4)LiV2Si trigonal pyramids, corners with three equivalent O(2)LiV2Si trigonal pyramids, and  an edgeedge with one O(6)V3Si tetrahedra. In the sixth O site, O(6) is bonded to one V(1), two equivalent V(2), and one Si(3) atom to form distorted OV3Si tetrahedra that share  a cornercorner with one O(5)LiV2Si tetrahedra, corners with two equivalent O(1)V3Si tetrahedra,  a cornercorner with one O(4)LiV2Si trigonal pyramid, corners with three equivalent O(2)LiV2Si trigonal pyramids,  an edgeedge with one O(5)LiV2Si tetrahedra,  an edgeedge with one O(1)V3Si tetrahedra, and  an edgeedge with one O(6)V3Si tetrahedra. In the seventh O site, O(7) is bonded to one V(3), two equivalent V(4), and one Si(4) atom to form distorted OV3Si tetrahedra that share  a cornercorner with one O(1)V3Si tetrahedra, corners with two equivalent O(4)LiV2Si trigonal pyramids, and  an edgeedge with one O(7)V3Si tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one V(4), two equivalent V(3), and one Si(3) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(3), one V(4), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one V(3), one V(4), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(3), and one Si(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Si(2), and one Si(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Si(2) and one Si(4) atom. is represented by the CIF card [CIF]
data_Li2V4Si4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.939
_cell_length_b   8.011
_cell_length_c   10.375
_cell_angle_alpha   67.563
_cell_angle_beta   80.599
_cell_angle_gamma   77.538
_symmetry_Int_Tables_number   1
_cell_volume   518.430
_cell_formula_units_Z   2
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  0.775  0.513  0.883  1.0
  Li  Li1  1  0.269  0.956  0.577  1.0
  Li  Li2  1  0.731  0.044  0.423  1.0
  Li  Li3  1  0.225  0.487  0.117  1.0
  V  V4  1  0.085  0.190  0.991  1.0
  V  V5  1  0.574  0.195  0.988  1.0
  V  V6  1  0.579  0.553  0.621  1.0
  V  V7  1  0.082  0.555  0.619  1.0
  V  V8  1  0.918  0.445  0.381  1.0
  V  V9  1  0.421  0.447  0.379  1.0
  V  V10  1  0.426  0.805  0.012  1.0
  V  V11  1  0.915  0.810  0.009  1.0
  Si  Si12  1  0.271  0.586  0.827  1.0
  Si  Si13  1  0.727  0.866  0.715  1.0
  Si  Si14  1  0.375  0.159  0.714  1.0
  Si  Si15  1  0.931  0.165  0.713  1.0
  Si  Si16  1  0.069  0.835  0.287  1.0
  Si  Si17  1  0.625  0.841  0.286  1.0
  Si  Si18  1  0.273  0.134  0.285  1.0
  Si  Si19  1  0.729  0.414  0.173  1.0
  O  O20  1  0.870  0.118  0.880  1.0
  O  O21  1  0.213  0.701  0.932  1.0
  O  O22  1  0.501  0.470  0.845  1.0
  O  O23  1  0.094  0.464  0.844  1.0
  O  O24  1  0.711  0.769  0.885  1.0
  O  O25  1  0.384  0.104  0.881  1.0
  O  O26  1  0.868  0.378  0.611  1.0
  O  O27  1  0.392  0.369  0.611  1.0
  O  O28  1  0.282  0.707  0.655  1.0
  O  O29  1  0.787  0.721  0.635  1.0
  O  O30  1  0.170  0.115  0.687  1.0
  O  O31  1  0.519  0.003  0.654  1.0
  O  O32  1  0.876  0.018  0.655  1.0
  O  O33  1  0.124  0.982  0.345  1.0
  O  O34  1  0.481  0.997  0.346  1.0
  O  O35  1  0.830  0.885  0.313  1.0
  O  O36  1  0.213  0.279  0.365  1.0
  O  O37  1  0.718  0.293  0.345  1.0
  O  O38  1  0.608  0.631  0.389  1.0
  O  O39  1  0.132  0.622  0.389  1.0
  O  O40  1  0.616  0.896  0.118  1.0
  O  O41  1  0.289  0.231  0.115  1.0
  O  O42  1  0.906  0.536  0.156  1.0
  O  O43  1  0.499  0.530  0.155  1.0
  O  O44  1  0.787  0.299  0.068  1.0
  O  O45  1  0.130  0.882  0.120  1.0
[/CIF]
.
The material structure described by Li2V4Si4O13 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(3), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(11), one O(9), and two equivalent O(12) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the third V site, V(3) is bonded to one O(10), one O(3), one O(7), one O(9), and two equivalent O(8) atoms to form VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, edges with three equivalent V(4)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the fourth V site, V(4) is bonded to one O(10), one O(4), one O(8), one O(9), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent V(3)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(13), and one O(5) atom to form SiO4 tetrahedra that share  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 V(4)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the third Si site, Si(3) is bonded to one O(11), one O(12), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-71°. In the fourth Si site, Si(4) is bonded to one O(1), one O(11), one O(13), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-69°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one V(2), two equivalent V(1), and one Si(4) atom to form distorted OV3Si tetrahedra that share  a cornercorner with one O(7)V3Si tetrahedra, corners with two equivalent O(6)V3Si tetrahedra, corners with three equivalent O(5)LiV2Si tetrahedra,  a cornercorner with one O(2)LiV2Si trigonal pyramid, corners with two equivalent O(4)LiV2Si trigonal pyramids,  an edgeedge with one O(1)V3Si tetrahedra,  an edgeedge with one O(6)V3Si tetrahedra, and  an edgeedge with one O(2)LiV2Si trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one V(1), one V(2), and one Si(1) atom to form OLiV2Si trigonal pyramids that share  a cornercorner with one O(1)V3Si tetrahedra, corners with three equivalent O(5)LiV2Si tetrahedra, corners with three equivalent O(6)V3Si tetrahedra,  a cornercorner with one O(4)LiV2Si trigonal pyramid,  an edgeedge with one O(1)V3Si tetrahedra, and  an edgeedge with one O(4)LiV2Si trigonal pyramid. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one V(2), one V(3), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one V(1), one V(4), and one Si(1) atom to form distorted OLiV2Si trigonal pyramids that share  a cornercorner with one O(6)V3Si tetrahedra, corners with two equivalent O(5)LiV2Si tetrahedra, corners with two equivalent O(1)V3Si tetrahedra, corners with two equivalent O(7)V3Si tetrahedra,  a cornercorner with one O(2)LiV2Si trigonal pyramid, and  an edgeedge with one O(2)LiV2Si trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one V(1), one V(2), and one Si(2) atom to form distorted OLiV2Si tetrahedra that share  a cornercorner with one O(6)V3Si tetrahedra, corners with three equivalent O(1)V3Si tetrahedra, corners with two equivalent O(4)LiV2Si trigonal pyramids, corners with three equivalent O(2)LiV2Si trigonal pyramids, and  an edgeedge with one O(6)V3Si tetrahedra. In the sixth O site, O(6) is bonded to one V(1), two equivalent V(2), and one Si(3) atom to form distorted OV3Si tetrahedra that share  a cornercorner with one O(5)LiV2Si tetrahedra, corners with two equivalent O(1)V3Si tetrahedra,  a cornercorner with one O(4)LiV2Si trigonal pyramid, corners with three equivalent O(2)LiV2Si trigonal pyramids,  an edgeedge with one O(5)LiV2Si tetrahedra,  an edgeedge with one O(1)V3Si tetrahedra, and  an edgeedge with one O(6)V3Si tetrahedra. In the seventh O site, O(7) is bonded to one V(3), two equivalent V(4), and one Si(4) atom to form distorted OV3Si tetrahedra that share  a cornercorner with one O(1)V3Si tetrahedra, corners with two equivalent O(4)LiV2Si trigonal pyramids, and  an edgeedge with one O(7)V3Si tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one V(4), two equivalent V(3), and one Si(3) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(3), one V(4), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one V(3), one V(4), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(3), and one Si(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Si(2), and one Si(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Si(2) and one Si(4) atom. is represented by the CIF card [CIF]
data_Li2V4Si4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.939
_cell_length_b   8.011
_cell_length_c   10.375
_cell_angle_alpha   67.563
_cell_angle_beta   80.599
_cell_angle_gamma   77.538
_symmetry_Int_Tables_number   1
_cell_volume   518.430
_cell_formula_units_Z   2
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  0.775  0.513  0.883  1.0
  Li  Li1  1  0.269  0.956  0.577  1.0
  Li  Li2  1  0.731  0.044  0.423  1.0
  Li  Li3  1  0.225  0.487  0.117  1.0
  V  V4  1  0.085  0.190  0.991  1.0
  V  V5  1  0.574  0.195  0.988  1.0
  V  V6  1  0.579  0.553  0.621  1.0
  V  V7  1  0.082  0.555  0.619  1.0
  V  V8  1  0.918  0.445  0.381  1.0
  V  V9  1  0.421  0.447  0.379  1.0
  V  V10  1  0.426  0.805  0.012  1.0
  V  V11  1  0.915  0.810  0.009  1.0
  Si  Si12  1  0.271  0.586  0.827  1.0
  Si  Si13  1  0.727  0.866  0.715  1.0
  Si  Si14  1  0.375  0.159  0.714  1.0
  Si  Si15  1  0.931  0.165  0.713  1.0
  Si  Si16  1  0.069  0.835  0.287  1.0
  Si  Si17  1  0.625  0.841  0.286  1.0
  Si  Si18  1  0.273  0.134  0.285  1.0
  Si  Si19  1  0.729  0.414  0.173  1.0
  O  O20  1  0.870  0.118  0.880  1.0
  O  O21  1  0.213  0.701  0.932  1.0
  O  O22  1  0.501  0.470  0.845  1.0
  O  O23  1  0.094  0.464  0.844  1.0
  O  O24  1  0.711  0.769  0.885  1.0
  O  O25  1  0.384  0.104  0.881  1.0
  O  O26  1  0.868  0.378  0.611  1.0
  O  O27  1  0.392  0.369  0.611  1.0
  O  O28  1  0.282  0.707  0.655  1.0
  O  O29  1  0.787  0.721  0.635  1.0
  O  O30  1  0.170  0.115  0.687  1.0
  O  O31  1  0.519  0.003  0.654  1.0
  O  O32  1  0.876  0.018  0.655  1.0
  O  O33  1  0.124  0.982  0.345  1.0
  O  O34  1  0.481  0.997  0.346  1.0
  O  O35  1  0.830  0.885  0.313  1.0
  O  O36  1  0.213  0.279  0.365  1.0
  O  O37  1  0.718  0.293  0.345  1.0
  O  O38  1  0.608  0.631  0.389  1.0
  O  O39  1  0.132  0.622  0.389  1.0
  O  O40  1  0.616  0.896  0.118  1.0
  O  O41  1  0.289  0.231  0.115  1.0
  O  O42  1  0.906  0.536  0.156  1.0
  O  O43  1  0.499  0.530  0.155  1.0
  O  O44  1  0.787  0.299  0.068  1.0
  O  O45  1  0.130  0.882  0.120  1.0
[/CIF]
.