The material structure described by LiVOPO4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(14), and one O(16) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-65°. In the second Li site, Li(2) is bonded to one O(12), one O(13), one O(15), and one O(2) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-67°. In the third Li site, Li(3) is bonded to one O(18), one O(20), one O(3), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-66°. In the fourth Li site, Li(4) is bonded to one O(10), one O(17), one O(19), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-67°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(13), one O(18), one O(4), one O(5), and one O(8) atom to form distorted VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, edges with two equivalent V(4)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. In the second V site, V(2) is bonded to one O(16), one O(19), one O(2), one O(3), one O(6), and one O(7) atom to form distorted VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. In the third V site, V(3) is bonded to one O(14), one O(17), one O(2), one O(3), one O(6), and one O(7) atom to form distorted VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. In the fourth V site, V(4) is bonded to one O(1), one O(15), one O(20), one O(4), one O(5), and one O(8) atom to form distorted VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(15), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(4)O6 octahedra. In the second P site, P(2) is bonded to one O(10), one O(14), one O(16), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one V(3)O6 octahedra. In the third P site, P(3) is bonded to one O(11), one O(17), one O(19), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one V(3)O6 octahedra. In the fourth P site, P(4) is bonded to one O(12), one O(18), one O(20), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(4)O6 octahedra. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one V(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(2), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one V(3) 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 V(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Li(3) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Li(4) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Li(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Li(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(2), one V(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(2), and one P(2) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(4), one V(3), and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one V(1), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one V(2), and one P(3) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(3), one V(4), and one P(4) atom. is represented by the CIF card [CIF]
data_LiVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.973
_cell_length_b   10.279
_cell_length_c   8.736
_cell_angle_alpha   115.499
_cell_angle_beta   69.826
_cell_angle_gamma   106.863
_symmetry_Int_Tables_number   1
_cell_volume   448.019
_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  0.878  0.392  0.669  1.0
  Li  Li1  1  0.847  0.890  0.165  1.0
  Li  Li2  1  0.125  0.609  0.332  1.0
  Li  Li3  1  0.151  0.110  0.836  1.0
  V  V4  1  0.212  0.750  0.750  1.0
  V  V5  1  0.788  0.250  0.249  1.0
  V  V6  1  0.242  0.246  0.253  1.0
  V  V7  1  0.755  0.751  0.748  1.0
  P  P8  1  0.353  0.723  0.002  1.0
  P  P9  1  0.370  0.222  0.503  1.0
  P  P10  1  0.645  0.277  0.998  1.0
  P  P11  1  0.632  0.778  0.497  1.0
  O  O12  1  0.966  0.613  0.723  1.0
  O  O13  1  0.929  0.111  0.219  1.0
  O  O14  1  0.033  0.387  0.276  1.0
  O  O15  1  0.072  0.888  0.778  1.0
  O  O16  1  0.408  0.631  0.793  1.0
  O  O17  1  0.430  0.127  0.295  1.0
  O  O18  1  0.589  0.368  0.208  1.0
  O  O19  1  0.570  0.872  0.705  1.0
  O  O20  1  0.237  0.641  0.121  1.0
  O  O21  1  0.280  0.144  0.626  1.0
  O  O22  1  0.763  0.360  0.880  1.0
  O  O23  1  0.720  0.858  0.376  1.0
  O  O24  1  0.186  0.820  0.004  1.0
  O  O25  1  0.187  0.312  0.512  1.0
  O  O26  1  0.615  0.810  0.012  1.0
  O  O27  1  0.632  0.319  0.504  1.0
  O  O28  1  0.385  0.191  0.987  1.0
  O  O29  1  0.370  0.681  0.496  1.0
  O  O30  1  0.813  0.180  0.996  1.0
  O  O31  1  0.816  0.690  0.487  1.0
[/CIF]
.
The material structure described by LiVOPO4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(14), and one O(16) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-65°. In the second Li site, Li(2) is bonded to one O(12), one O(13), one O(15), and one O(2) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-67°. In the third Li site, Li(3) is bonded to one O(18), one O(20), one O(3), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-66°. In the fourth Li site, Li(4) is bonded to one O(10), one O(17), one O(19), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-67°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(13), one O(18), one O(4), one O(5), and one O(8) atom to form distorted VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, edges with two equivalent V(4)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. In the second V site, V(2) is bonded to one O(16), one O(19), one O(2), one O(3), one O(6), and one O(7) atom to form distorted VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. In the third V site, V(3) is bonded to one O(14), one O(17), one O(2), one O(3), one O(6), and one O(7) atom to form distorted VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. In the fourth V site, V(4) is bonded to one O(1), one O(15), one O(20), one O(4), one O(5), and one O(8) atom to form distorted VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(15), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(4)O6 octahedra. In the second P site, P(2) is bonded to one O(10), one O(14), one O(16), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one V(3)O6 octahedra. In the third P site, P(3) is bonded to one O(11), one O(17), one O(19), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one V(3)O6 octahedra. In the fourth P site, P(4) is bonded to one O(12), one O(18), one O(20), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(4)O6 octahedra. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one V(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(2), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one V(3) 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 V(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Li(3) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Li(4) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Li(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Li(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(2), one V(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(2), and one P(2) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(4), one V(3), and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one V(1), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one V(2), and one P(3) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(3), one V(4), and one P(4) atom. is represented by the CIF card [CIF]
data_LiVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.973
_cell_length_b   10.279
_cell_length_c   8.736
_cell_angle_alpha   115.499
_cell_angle_beta   69.826
_cell_angle_gamma   106.863
_symmetry_Int_Tables_number   1
_cell_volume   448.019
_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  0.878  0.392  0.669  1.0
  Li  Li1  1  0.847  0.890  0.165  1.0
  Li  Li2  1  0.125  0.609  0.332  1.0
  Li  Li3  1  0.151  0.110  0.836  1.0
  V  V4  1  0.212  0.750  0.750  1.0
  V  V5  1  0.788  0.250  0.249  1.0
  V  V6  1  0.242  0.246  0.253  1.0
  V  V7  1  0.755  0.751  0.748  1.0
  P  P8  1  0.353  0.723  0.002  1.0
  P  P9  1  0.370  0.222  0.503  1.0
  P  P10  1  0.645  0.277  0.998  1.0
  P  P11  1  0.632  0.778  0.497  1.0
  O  O12  1  0.966  0.613  0.723  1.0
  O  O13  1  0.929  0.111  0.219  1.0
  O  O14  1  0.033  0.387  0.276  1.0
  O  O15  1  0.072  0.888  0.778  1.0
  O  O16  1  0.408  0.631  0.793  1.0
  O  O17  1  0.430  0.127  0.295  1.0
  O  O18  1  0.589  0.368  0.208  1.0
  O  O19  1  0.570  0.872  0.705  1.0
  O  O20  1  0.237  0.641  0.121  1.0
  O  O21  1  0.280  0.144  0.626  1.0
  O  O22  1  0.763  0.360  0.880  1.0
  O  O23  1  0.720  0.858  0.376  1.0
  O  O24  1  0.186  0.820  0.004  1.0
  O  O25  1  0.187  0.312  0.512  1.0
  O  O26  1  0.615  0.810  0.012  1.0
  O  O27  1  0.632  0.319  0.504  1.0
  O  O28  1  0.385  0.191  0.987  1.0
  O  O29  1  0.370  0.681  0.496  1.0
  O  O30  1  0.813  0.180  0.996  1.0
  O  O31  1  0.816  0.690  0.487  1.0
[/CIF]
.