The crystal structure described by Li2VSi2O7 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(5), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(14), one O(2), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(3), and two equivalent O(9) atoms. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(12), one O(2), one O(4), and two equivalent O(10) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(14), one O(2), one O(4), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and corners with three equivalent Si(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(11), one O(13), one O(3), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and corners with three equivalent Si(1)O4 tetrahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form SiO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-66°. In the second Si site, Si(2) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form SiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-66°. In the third Si site, Si(3) is bonded to one O(11), one O(13), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-51°. In the fourth Si site, Si(4) is bonded to one O(12), one O(14), one O(5), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-51°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one V(2), and one Si(1) atom to form corner-sharing OLi2VSi trigonal pyramids. In the second O site, O(2) is bonded to one Li(2), one Li(4), one V(1), and one Si(2) atom to form corner-sharing OLi2VSi trigonal pyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(4), one V(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one Si(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one V(1), and one Si(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Si(2), and one Si(4) atom. In the ninth O site, O(9) is bonded to two equivalent Li(3), one V(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2VSi trigonal pyramids. In the tenth O site, O(10) is bonded to two equivalent Li(4), one V(1), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OLi2VSi trigonal pyramids. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one V(1), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one Si(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one Si(4) atom. is represented by the CIF card [CIF]
data_Li2VSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.195
_cell_length_b   6.072
_cell_length_c   8.699
_cell_angle_alpha   71.338
_cell_angle_beta   86.357
_cell_angle_gamma   85.307
_symmetry_Int_Tables_number   1
_cell_volume   258.881
_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  0.300  0.938  0.150  1.0
  Li  Li1  1  0.700  0.062  0.850  1.0
  Li  Li2  1  0.201  0.814  0.524  1.0
  Li  Li3  1  0.800  0.186  0.476  1.0
  O  O4  1  0.607  0.330  0.640  1.0
  O  O5  1  0.393  0.670  0.360  1.0
  O  O6  1  0.088  0.476  0.664  1.0
  O  O7  1  0.912  0.524  0.336  1.0
  O  O8  1  0.763  0.323  0.933  1.0
  O  O9  1  0.237  0.677  0.067  1.0
  O  O10  1  0.710  0.939  0.164  1.0
  O  O11  1  0.289  0.061  0.836  1.0
  O  O12  1  0.770  0.827  0.494  1.0
  O  O13  1  0.230  0.173  0.506  1.0
  O  O14  1  0.431  0.687  0.764  1.0
  O  O15  1  0.569  0.313  0.236  1.0
  O  O16  1  0.922  0.802  0.807  1.0
  O  O17  1  0.078  0.198  0.193  1.0
  Si  Si18  1  0.697  0.732  0.347  1.0
  Si  Si19  1  0.303  0.268  0.653  1.0
  Si  Si20  1  0.211  0.786  0.874  1.0
  Si  Si21  1  0.789  0.214  0.126  1.0
  V  V22  1  0.761  0.573  0.725  1.0
  V  V23  1  0.239  0.427  0.275  1.0
[/CIF]
.
The crystal structure described by Li2VSi2O7 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(5), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(14), one O(2), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(3), and two equivalent O(9) atoms. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(12), one O(2), one O(4), and two equivalent O(10) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(14), one O(2), one O(4), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and corners with three equivalent Si(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(11), one O(13), one O(3), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and corners with three equivalent Si(1)O4 tetrahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form SiO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-66°. In the second Si site, Si(2) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form SiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-66°. In the third Si site, Si(3) is bonded to one O(11), one O(13), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-51°. In the fourth Si site, Si(4) is bonded to one O(12), one O(14), one O(5), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-51°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one V(2), and one Si(1) atom to form corner-sharing OLi2VSi trigonal pyramids. In the second O site, O(2) is bonded to one Li(2), one Li(4), one V(1), and one Si(2) atom to form corner-sharing OLi2VSi trigonal pyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(4), one V(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one Si(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one V(1), and one Si(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Si(2), and one Si(4) atom. In the ninth O site, O(9) is bonded to two equivalent Li(3), one V(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2VSi trigonal pyramids. In the tenth O site, O(10) is bonded to two equivalent Li(4), one V(1), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OLi2VSi trigonal pyramids. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one V(1), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one Si(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one Si(4) atom. is represented by the CIF card [CIF]
data_Li2VSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.195
_cell_length_b   6.072
_cell_length_c   8.699
_cell_angle_alpha   71.338
_cell_angle_beta   86.357
_cell_angle_gamma   85.307
_symmetry_Int_Tables_number   1
_cell_volume   258.881
_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  0.300  0.938  0.150  1.0
  Li  Li1  1  0.700  0.062  0.850  1.0
  Li  Li2  1  0.201  0.814  0.524  1.0
  Li  Li3  1  0.800  0.186  0.476  1.0
  O  O4  1  0.607  0.330  0.640  1.0
  O  O5  1  0.393  0.670  0.360  1.0
  O  O6  1  0.088  0.476  0.664  1.0
  O  O7  1  0.912  0.524  0.336  1.0
  O  O8  1  0.763  0.323  0.933  1.0
  O  O9  1  0.237  0.677  0.067  1.0
  O  O10  1  0.710  0.939  0.164  1.0
  O  O11  1  0.289  0.061  0.836  1.0
  O  O12  1  0.770  0.827  0.494  1.0
  O  O13  1  0.230  0.173  0.506  1.0
  O  O14  1  0.431  0.687  0.764  1.0
  O  O15  1  0.569  0.313  0.236  1.0
  O  O16  1  0.922  0.802  0.807  1.0
  O  O17  1  0.078  0.198  0.193  1.0
  Si  Si18  1  0.697  0.732  0.347  1.0
  Si  Si19  1  0.303  0.268  0.653  1.0
  Si  Si20  1  0.211  0.786  0.874  1.0
  Si  Si21  1  0.789  0.214  0.126  1.0
  V  V22  1  0.761  0.573  0.725  1.0
  V  V23  1  0.239  0.427  0.275  1.0
[/CIF]
.