The material structure described by Li2VSiO4 crystallizes in the orthorhombic Pmn2_1 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. V(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with eight equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one V(1), and one Si(1) atom to form corner-sharing OLi2VSi tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent V(1), and one Si(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one V(1), and one Si(1) atom to form distorted corner-sharing OLi2VSi trigonal pyramids. is represented by the CIF card [CIF]
data_Li2VSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.809
_cell_length_b   5.263
_cell_length_c   6.764
_cell_angle_alpha   90.000
_cell_angle_beta   89.998
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   171.167
_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  0.014  0.324  0.250  1.0
  Li  Li1  1  0.514  0.676  0.250  1.0
  Li  Li2  1  0.014  0.324  0.750  1.0
  Li  Li3  1  0.514  0.676  0.750  1.0
  O  O4  1  0.152  0.190  0.000  1.0
  O  O5  1  0.652  0.810  0.500  1.0
  O  O6  1  0.576  0.865  0.000  1.0
  O  O7  1  0.076  0.135  0.500  1.0
  O  O8  1  0.108  0.688  0.297  1.0
  O  O9  1  0.607  0.312  0.203  1.0
  O  O10  1  0.608  0.312  0.797  1.0
  O  O11  1  0.107  0.688  0.703  1.0
  Si  Si12  1  0.496  0.174  1.000  1.0
  Si  Si13  1  0.996  0.826  0.500  1.0
  V  V14  1  0.034  0.804  1.000  1.0
  V  V15  1  0.534  0.196  0.500  1.0
[/CIF]
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The material structure described by Li2VSiO4 crystallizes in the orthorhombic Pmn2_1 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. V(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with eight equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one V(1), and one Si(1) atom to form corner-sharing OLi2VSi tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent V(1), and one Si(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one V(1), and one Si(1) atom to form distorted corner-sharing OLi2VSi trigonal pyramids. is represented by the CIF card [CIF]
data_Li2VSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.809
_cell_length_b   5.263
_cell_length_c   6.764
_cell_angle_alpha   90.000
_cell_angle_beta   89.998
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   171.167
_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  0.014  0.324  0.250  1.0
  Li  Li1  1  0.514  0.676  0.250  1.0
  Li  Li2  1  0.014  0.324  0.750  1.0
  Li  Li3  1  0.514  0.676  0.750  1.0
  O  O4  1  0.152  0.190  0.000  1.0
  O  O5  1  0.652  0.810  0.500  1.0
  O  O6  1  0.576  0.865  0.000  1.0
  O  O7  1  0.076  0.135  0.500  1.0
  O  O8  1  0.108  0.688  0.297  1.0
  O  O9  1  0.607  0.312  0.203  1.0
  O  O10  1  0.608  0.312  0.797  1.0
  O  O11  1  0.107  0.688  0.703  1.0
  Si  Si12  1  0.496  0.174  1.000  1.0
  Si  Si13  1  0.996  0.826  0.500  1.0
  V  V14  1  0.034  0.804  1.000  1.0
  V  V15  1  0.534  0.196  0.500  1.0
[/CIF]
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