The structure described by LiV(PO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(6), one O(7), and one O(8) atom. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-47°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-42°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. is represented by the CIF card [CIF]
data_LiV(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.904
_cell_length_b   4.873
_cell_length_c   8.059
_cell_angle_alpha   59.304
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   570.807
_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  0.887  0.710  0.496  1.0
  Li  Li1  1  0.387  0.290  0.004  1.0
  Li  Li2  1  0.613  0.710  0.996  1.0
  Li  Li3  1  0.113  0.290  0.504  1.0
  V  V4  1  0.870  0.193  0.008  1.0
  V  V5  1  0.370  0.807  0.492  1.0
  V  V6  1  0.630  0.193  0.508  1.0
  V  V7  1  0.130  0.807  0.992  1.0
  P  P8  1  0.712  0.891  0.264  1.0
  P  P9  1  0.536  0.512  0.725  1.0
  P  P10  1  0.036  0.488  0.775  1.0
  P  P11  1  0.212  0.109  0.236  1.0
  P  P12  1  0.788  0.891  0.764  1.0
  P  P13  1  0.964  0.512  0.225  1.0
  P  P14  1  0.464  0.488  0.275  1.0
  P  P15  1  0.288  0.109  0.736  1.0
  O  O16  1  0.189  0.867  0.169  1.0
  O  O17  1  0.694  0.548  0.445  1.0
  O  O18  1  0.670  0.942  0.088  1.0
  O  O19  1  0.435  0.752  0.317  1.0
  O  O20  1  0.072  0.165  0.938  1.0
  O  O21  1  0.060  0.562  0.579  1.0
  O  O22  1  0.804  0.923  0.233  1.0
  O  O23  1  0.444  0.541  0.696  1.0
  O  O24  1  0.944  0.459  0.804  1.0
  O  O25  1  0.560  0.438  0.921  1.0
  O  O26  1  0.572  0.835  0.562  1.0
  O  O27  1  0.304  0.077  0.267  1.0
  O  O28  1  0.935  0.248  0.183  1.0
  O  O29  1  0.170  0.058  0.412  1.0
  O  O30  1  0.194  0.452  0.055  1.0
  O  O31  1  0.311  0.867  0.669  1.0
  O  O32  1  0.689  0.133  0.331  1.0
  O  O33  1  0.806  0.548  0.945  1.0
  O  O34  1  0.830  0.942  0.588  1.0
  O  O35  1  0.065  0.752  0.817  1.0
  O  O36  1  0.696  0.923  0.733  1.0
  O  O37  1  0.428  0.165  0.438  1.0
  O  O38  1  0.440  0.562  0.079  1.0
  O  O39  1  0.056  0.541  0.196  1.0
  O  O40  1  0.556  0.459  0.304  1.0
  O  O41  1  0.196  0.077  0.767  1.0
  O  O42  1  0.940  0.438  0.421  1.0
  O  O43  1  0.928  0.835  0.062  1.0
  O  O44  1  0.565  0.248  0.683  1.0
  O  O45  1  0.330  0.058  0.912  1.0
  O  O46  1  0.306  0.452  0.555  1.0
  O  O47  1  0.811  0.133  0.831  1.0
[/CIF]
.
The structure described by LiV(PO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(6), one O(7), and one O(8) atom. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-47°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-42°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. is represented by the CIF card [CIF]
data_LiV(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.904
_cell_length_b   4.873
_cell_length_c   8.059
_cell_angle_alpha   59.304
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   570.807
_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  0.887  0.710  0.496  1.0
  Li  Li1  1  0.387  0.290  0.004  1.0
  Li  Li2  1  0.613  0.710  0.996  1.0
  Li  Li3  1  0.113  0.290  0.504  1.0
  V  V4  1  0.870  0.193  0.008  1.0
  V  V5  1  0.370  0.807  0.492  1.0
  V  V6  1  0.630  0.193  0.508  1.0
  V  V7  1  0.130  0.807  0.992  1.0
  P  P8  1  0.712  0.891  0.264  1.0
  P  P9  1  0.536  0.512  0.725  1.0
  P  P10  1  0.036  0.488  0.775  1.0
  P  P11  1  0.212  0.109  0.236  1.0
  P  P12  1  0.788  0.891  0.764  1.0
  P  P13  1  0.964  0.512  0.225  1.0
  P  P14  1  0.464  0.488  0.275  1.0
  P  P15  1  0.288  0.109  0.736  1.0
  O  O16  1  0.189  0.867  0.169  1.0
  O  O17  1  0.694  0.548  0.445  1.0
  O  O18  1  0.670  0.942  0.088  1.0
  O  O19  1  0.435  0.752  0.317  1.0
  O  O20  1  0.072  0.165  0.938  1.0
  O  O21  1  0.060  0.562  0.579  1.0
  O  O22  1  0.804  0.923  0.233  1.0
  O  O23  1  0.444  0.541  0.696  1.0
  O  O24  1  0.944  0.459  0.804  1.0
  O  O25  1  0.560  0.438  0.921  1.0
  O  O26  1  0.572  0.835  0.562  1.0
  O  O27  1  0.304  0.077  0.267  1.0
  O  O28  1  0.935  0.248  0.183  1.0
  O  O29  1  0.170  0.058  0.412  1.0
  O  O30  1  0.194  0.452  0.055  1.0
  O  O31  1  0.311  0.867  0.669  1.0
  O  O32  1  0.689  0.133  0.331  1.0
  O  O33  1  0.806  0.548  0.945  1.0
  O  O34  1  0.830  0.942  0.588  1.0
  O  O35  1  0.065  0.752  0.817  1.0
  O  O36  1  0.696  0.923  0.733  1.0
  O  O37  1  0.428  0.165  0.438  1.0
  O  O38  1  0.440  0.562  0.079  1.0
  O  O39  1  0.056  0.541  0.196  1.0
  O  O40  1  0.556  0.459  0.304  1.0
  O  O41  1  0.196  0.077  0.767  1.0
  O  O42  1  0.940  0.438  0.421  1.0
  O  O43  1  0.928  0.835  0.062  1.0
  O  O44  1  0.565  0.248  0.683  1.0
  O  O45  1  0.330  0.058  0.912  1.0
  O  O46  1  0.306  0.452  0.555  1.0
  O  O47  1  0.811  0.133  0.831  1.0
[/CIF]
.