The compound described by Li2VPO6 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and  an edgeedge with one P(1)O4 tetrahedra. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra and  an edgeedge with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the second O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one P(1) atom. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one V(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2VP tetrahedra. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one P(1) atom. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one V(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2VP tetrahedra. is represented by the CIF card [CIF]
data_Li2VPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.702
_cell_length_b   8.651
_cell_length_c   10.506
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   427.408
_cell_formula_units_Z   4
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  0.978  0.826  0.913  1.0
  Li  Li1  1  0.022  0.326  0.087  1.0
  Li  Li2  1  0.478  0.326  0.587  1.0
  Li  Li3  1  0.522  0.826  0.413  1.0
  Li  Li4  1  0.466  0.123  0.866  1.0
  Li  Li5  1  0.534  0.623  0.134  1.0
  Li  Li6  1  0.966  0.623  0.634  1.0
  Li  Li7  1  0.034  0.123  0.366  1.0
  V  V8  1  0.483  0.005  0.111  1.0
  V  V9  1  0.517  0.505  0.889  1.0
  V  V10  1  0.983  0.505  0.389  1.0
  V  V11  1  0.017  0.005  0.611  1.0
  P  P12  1  0.415  0.808  0.718  1.0
  P  P13  1  0.585  0.308  0.282  1.0
  P  P14  1  0.915  0.308  0.782  1.0
  P  P15  1  0.085  0.808  0.218  1.0
  O  O16  1  0.312  0.652  0.780  1.0
  O  O17  1  0.688  0.152  0.220  1.0
  O  O18  1  0.812  0.152  0.720  1.0
  O  O19  1  0.188  0.652  0.280  1.0
  O  O20  1  0.265  0.814  0.584  1.0
  O  O21  1  0.735  0.314  0.416  1.0
  O  O22  1  0.765  0.314  0.916  1.0
  O  O23  1  0.235  0.814  0.084  1.0
  O  O24  1  0.761  0.817  0.215  1.0
  O  O25  1  0.239  0.317  0.785  1.0
  O  O26  1  0.261  0.317  0.285  1.0
  O  O27  1  0.739  0.817  0.715  1.0
  O  O28  1  0.261  0.944  0.787  1.0
  O  O29  1  0.739  0.444  0.213  1.0
  O  O30  1  0.761  0.444  0.713  1.0
  O  O31  1  0.239  0.944  0.287  1.0
  O  O32  1  0.703  0.975  0.989  1.0
  O  O33  1  0.297  0.475  0.011  1.0
  O  O34  1  0.203  0.475  0.511  1.0
  O  O35  1  0.797  0.975  0.489  1.0
  O  O36  1  0.255  0.132  0.049  1.0
  O  O37  1  0.745  0.632  0.951  1.0
  O  O38  1  0.755  0.632  0.451  1.0
  O  O39  1  0.245  0.132  0.549  1.0
[/CIF]
.
The compound described by Li2VPO6 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and  an edgeedge with one P(1)O4 tetrahedra. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra and  an edgeedge with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the second O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one P(1) atom. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one V(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2VP tetrahedra. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one P(1) atom. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one V(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2VP tetrahedra. is represented by the CIF card [CIF]
data_Li2VPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.702
_cell_length_b   8.651
_cell_length_c   10.506
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   427.408
_cell_formula_units_Z   4
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  0.978  0.826  0.913  1.0
  Li  Li1  1  0.022  0.326  0.087  1.0
  Li  Li2  1  0.478  0.326  0.587  1.0
  Li  Li3  1  0.522  0.826  0.413  1.0
  Li  Li4  1  0.466  0.123  0.866  1.0
  Li  Li5  1  0.534  0.623  0.134  1.0
  Li  Li6  1  0.966  0.623  0.634  1.0
  Li  Li7  1  0.034  0.123  0.366  1.0
  V  V8  1  0.483  0.005  0.111  1.0
  V  V9  1  0.517  0.505  0.889  1.0
  V  V10  1  0.983  0.505  0.389  1.0
  V  V11  1  0.017  0.005  0.611  1.0
  P  P12  1  0.415  0.808  0.718  1.0
  P  P13  1  0.585  0.308  0.282  1.0
  P  P14  1  0.915  0.308  0.782  1.0
  P  P15  1  0.085  0.808  0.218  1.0
  O  O16  1  0.312  0.652  0.780  1.0
  O  O17  1  0.688  0.152  0.220  1.0
  O  O18  1  0.812  0.152  0.720  1.0
  O  O19  1  0.188  0.652  0.280  1.0
  O  O20  1  0.265  0.814  0.584  1.0
  O  O21  1  0.735  0.314  0.416  1.0
  O  O22  1  0.765  0.314  0.916  1.0
  O  O23  1  0.235  0.814  0.084  1.0
  O  O24  1  0.761  0.817  0.215  1.0
  O  O25  1  0.239  0.317  0.785  1.0
  O  O26  1  0.261  0.317  0.285  1.0
  O  O27  1  0.739  0.817  0.715  1.0
  O  O28  1  0.261  0.944  0.787  1.0
  O  O29  1  0.739  0.444  0.213  1.0
  O  O30  1  0.761  0.444  0.713  1.0
  O  O31  1  0.239  0.944  0.287  1.0
  O  O32  1  0.703  0.975  0.989  1.0
  O  O33  1  0.297  0.475  0.011  1.0
  O  O34  1  0.203  0.475  0.511  1.0
  O  O35  1  0.797  0.975  0.489  1.0
  O  O36  1  0.255  0.132  0.049  1.0
  O  O37  1  0.745  0.632  0.951  1.0
  O  O38  1  0.755  0.632  0.451  1.0
  O  O39  1  0.245  0.132  0.549  1.0
[/CIF]
.