The material described by Li2V(Si2O5)3 crystallizes in the orthorhombic Imma space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. V(1) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra and corners with four equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 17°. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Li(1), one V(1), and one Si(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to two equivalent Si(2) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_Li2V(Si2O5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.752
_cell_length_b   9.752
_cell_length_c   9.752
_cell_angle_alpha   131.779
_cell_angle_beta   118.290
_cell_angle_gamma   81.941
_symmetry_Int_Tables_number   1
_cell_volume   586.907
_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  0.745  0.245  0.000  1.0
  Li  Li1  1  0.745  0.745  0.500  1.0
  Li  Li2  1  0.255  0.755  0.000  1.0
  Li  Li3  1  0.255  0.255  0.500  1.0
  V  V4  1  0.500  0.500  0.000  1.0
  V  V5  1  0.000  0.000  0.000  1.0
  Si  Si6  1  0.422  0.149  0.273  1.0
  Si  Si7  1  0.624  0.351  0.273  1.0
  Si  Si8  1  0.318  0.042  0.651  1.0
  Si  Si9  1  0.318  0.667  0.277  1.0
  Si  Si10  1  0.110  0.833  0.651  1.0
  Si  Si11  1  0.110  0.458  0.277  1.0
  Si  Si12  1  0.682  0.958  0.349  1.0
  Si  Si13  1  0.682  0.333  0.723  1.0
  Si  Si14  1  0.890  0.167  0.349  1.0
  Si  Si15  1  0.890  0.542  0.723  1.0
  Si  Si16  1  0.578  0.851  0.727  1.0
  Si  Si17  1  0.376  0.649  0.727  1.0
  O  O18  1  0.543  0.750  0.793  1.0
  O  O19  1  0.403  0.568  0.834  1.0
  O  O20  1  0.766  0.932  0.834  1.0
  O  O21  1  0.273  0.875  0.399  1.0
  O  O22  1  0.507  0.300  0.536  1.0
  O  O23  1  0.507  0.971  0.208  1.0
  O  O24  1  0.736  0.200  0.208  1.0
  O  O25  1  0.736  0.529  0.536  1.0
  O  O26  1  0.024  0.625  0.399  1.0
  O  O27  1  0.984  0.250  0.090  1.0
  O  O28  1  0.984  0.894  0.734  1.0
  O  O29  1  0.340  0.606  0.090  1.0
  O  O30  1  0.340  0.250  0.734  1.0
  O  O31  1  0.179  0.994  0.672  1.0
  O  O32  1  0.179  0.506  0.185  1.0
  O  O33  1  0.821  0.006  0.328  1.0
  O  O34  1  0.821  0.494  0.815  1.0
  O  O35  1  0.016  0.106  0.266  1.0
  O  O36  1  0.016  0.750  0.910  1.0
  O  O37  1  0.660  0.394  0.910  1.0
  O  O38  1  0.660  0.750  0.266  1.0
  O  O39  1  0.727  0.125  0.601  1.0
  O  O40  1  0.493  0.700  0.464  1.0
  O  O41  1  0.493  0.029  0.792  1.0
  O  O42  1  0.264  0.471  0.464  1.0
  O  O43  1  0.264  0.800  0.792  1.0
  O  O44  1  0.976  0.375  0.601  1.0
  O  O45  1  0.597  0.432  0.166  1.0
  O  O46  1  0.234  0.068  0.166  1.0
  O  O47  1  0.457  0.250  0.207  1.0
[/CIF]
.
The material described by Li2V(Si2O5)3 crystallizes in the orthorhombic Imma space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. V(1) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra and corners with four equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 17°. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Li(1), one V(1), and one Si(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to two equivalent Si(2) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_Li2V(Si2O5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.752
_cell_length_b   9.752
_cell_length_c   9.752
_cell_angle_alpha   131.779
_cell_angle_beta   118.290
_cell_angle_gamma   81.941
_symmetry_Int_Tables_number   1
_cell_volume   586.907
_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  0.745  0.245  0.000  1.0
  Li  Li1  1  0.745  0.745  0.500  1.0
  Li  Li2  1  0.255  0.755  0.000  1.0
  Li  Li3  1  0.255  0.255  0.500  1.0
  V  V4  1  0.500  0.500  0.000  1.0
  V  V5  1  0.000  0.000  0.000  1.0
  Si  Si6  1  0.422  0.149  0.273  1.0
  Si  Si7  1  0.624  0.351  0.273  1.0
  Si  Si8  1  0.318  0.042  0.651  1.0
  Si  Si9  1  0.318  0.667  0.277  1.0
  Si  Si10  1  0.110  0.833  0.651  1.0
  Si  Si11  1  0.110  0.458  0.277  1.0
  Si  Si12  1  0.682  0.958  0.349  1.0
  Si  Si13  1  0.682  0.333  0.723  1.0
  Si  Si14  1  0.890  0.167  0.349  1.0
  Si  Si15  1  0.890  0.542  0.723  1.0
  Si  Si16  1  0.578  0.851  0.727  1.0
  Si  Si17  1  0.376  0.649  0.727  1.0
  O  O18  1  0.543  0.750  0.793  1.0
  O  O19  1  0.403  0.568  0.834  1.0
  O  O20  1  0.766  0.932  0.834  1.0
  O  O21  1  0.273  0.875  0.399  1.0
  O  O22  1  0.507  0.300  0.536  1.0
  O  O23  1  0.507  0.971  0.208  1.0
  O  O24  1  0.736  0.200  0.208  1.0
  O  O25  1  0.736  0.529  0.536  1.0
  O  O26  1  0.024  0.625  0.399  1.0
  O  O27  1  0.984  0.250  0.090  1.0
  O  O28  1  0.984  0.894  0.734  1.0
  O  O29  1  0.340  0.606  0.090  1.0
  O  O30  1  0.340  0.250  0.734  1.0
  O  O31  1  0.179  0.994  0.672  1.0
  O  O32  1  0.179  0.506  0.185  1.0
  O  O33  1  0.821  0.006  0.328  1.0
  O  O34  1  0.821  0.494  0.815  1.0
  O  O35  1  0.016  0.106  0.266  1.0
  O  O36  1  0.016  0.750  0.910  1.0
  O  O37  1  0.660  0.394  0.910  1.0
  O  O38  1  0.660  0.750  0.266  1.0
  O  O39  1  0.727  0.125  0.601  1.0
  O  O40  1  0.493  0.700  0.464  1.0
  O  O41  1  0.493  0.029  0.792  1.0
  O  O42  1  0.264  0.471  0.464  1.0
  O  O43  1  0.264  0.800  0.792  1.0
  O  O44  1  0.976  0.375  0.601  1.0
  O  O45  1  0.597  0.432  0.166  1.0
  O  O46  1  0.234  0.068  0.166  1.0
  O  O47  1  0.457  0.250  0.207  1.0
[/CIF]
.