The compound described by Li4V2P4H3O16 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(12), one O(3), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 72°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(15), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(10), one O(13), one O(2), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(16), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second V site, V(2) is bonded to one O(12), one O(13), one O(15), one O(2), one O(4), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 34-56°. In the second P site, P(2) is bonded to one O(13), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-52°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 23-52°. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(14), and one O(15) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 34-56°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(14) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(10) and one O(6) atom. There are sixteen 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 P(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one V(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(2), one V(2), and one P(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(4), one V(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one P(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(4), one V(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one P(3), and one H(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one P(4), and one H(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(4), one V(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Li4V2P4H3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.952
_cell_length_b   7.714
_cell_length_c   8.350
_cell_angle_alpha   91.004
_cell_angle_beta   90.753
_cell_angle_gamma   102.035
_symmetry_Int_Tables_number   1
_cell_volume   311.894
_cell_formula_units_Z   1
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  0.124  0.679  0.643  1.0
  Li  Li1  1  0.390  0.854  0.127  1.0
  Li  Li2  1  0.585  0.153  0.880  1.0
  Li  Li3  1  0.876  0.319  0.352  1.0
  V  V4  1  0.498  0.002  0.500  1.0
  V  V5  1  0.002  0.497  0.003  1.0
  P  P6  1  0.111  0.254  0.672  1.0
  P  P7  1  0.378  0.242  0.154  1.0
  P  P8  1  0.622  0.750  0.845  1.0
  P  P9  1  0.882  0.747  0.327  1.0
  H  H10  1  0.458  0.460  0.598  1.0
  H  H11  1  0.539  0.529  0.380  1.0
  H  H12  1  0.943  0.969  0.982  1.0
  O  O13  1  0.105  0.823  0.452  1.0
  O  O14  1  0.981  0.300  0.830  1.0
  O  O15  1  0.257  0.445  0.597  1.0
  O  O16  1  0.384  0.660  0.951  1.0
  O  O17  1  0.160  0.364  0.174  1.0
  O  O18  1  0.260  0.067  0.061  1.0
  O  O19  1  0.335  0.149  0.696  1.0
  O  O20  1  0.518  0.796  0.682  1.0
  O  O21  1  0.479  0.209  0.324  1.0
  O  O22  1  0.748  0.935  0.937  1.0
  O  O23  1  0.659  0.853  0.303  1.0
  O  O24  1  0.847  0.640  0.827  1.0
  O  O25  1  0.625  0.345  0.055  1.0
  O  O26  1  0.737  0.558  0.406  1.0
  O  O27  1  0.008  0.700  0.169  1.0
  O  O28  1  0.892  0.177  0.547  1.0
[/CIF]
.
The compound described by Li4V2P4H3O16 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(12), one O(3), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 72°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(15), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(10), one O(13), one O(2), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(16), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second V site, V(2) is bonded to one O(12), one O(13), one O(15), one O(2), one O(4), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 34-56°. In the second P site, P(2) is bonded to one O(13), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-52°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 23-52°. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(14), and one O(15) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 34-56°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(14) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(10) and one O(6) atom. There are sixteen 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 P(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one V(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(2), one V(2), and one P(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(4), one V(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one P(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(4), one V(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one P(3), and one H(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one P(4), and one H(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(4), one V(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Li4V2P4H3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.952
_cell_length_b   7.714
_cell_length_c   8.350
_cell_angle_alpha   91.004
_cell_angle_beta   90.753
_cell_angle_gamma   102.035
_symmetry_Int_Tables_number   1
_cell_volume   311.894
_cell_formula_units_Z   1
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  0.124  0.679  0.643  1.0
  Li  Li1  1  0.390  0.854  0.127  1.0
  Li  Li2  1  0.585  0.153  0.880  1.0
  Li  Li3  1  0.876  0.319  0.352  1.0
  V  V4  1  0.498  0.002  0.500  1.0
  V  V5  1  0.002  0.497  0.003  1.0
  P  P6  1  0.111  0.254  0.672  1.0
  P  P7  1  0.378  0.242  0.154  1.0
  P  P8  1  0.622  0.750  0.845  1.0
  P  P9  1  0.882  0.747  0.327  1.0
  H  H10  1  0.458  0.460  0.598  1.0
  H  H11  1  0.539  0.529  0.380  1.0
  H  H12  1  0.943  0.969  0.982  1.0
  O  O13  1  0.105  0.823  0.452  1.0
  O  O14  1  0.981  0.300  0.830  1.0
  O  O15  1  0.257  0.445  0.597  1.0
  O  O16  1  0.384  0.660  0.951  1.0
  O  O17  1  0.160  0.364  0.174  1.0
  O  O18  1  0.260  0.067  0.061  1.0
  O  O19  1  0.335  0.149  0.696  1.0
  O  O20  1  0.518  0.796  0.682  1.0
  O  O21  1  0.479  0.209  0.324  1.0
  O  O22  1  0.748  0.935  0.937  1.0
  O  O23  1  0.659  0.853  0.303  1.0
  O  O24  1  0.847  0.640  0.827  1.0
  O  O25  1  0.625  0.345  0.055  1.0
  O  O26  1  0.737  0.558  0.406  1.0
  O  O27  1  0.008  0.700  0.169  1.0
  O  O28  1  0.892  0.177  0.547  1.0
[/CIF]
.