The crystal structure described by Li3V(H4O3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(10), one O(7), one O(8), and one O(9) atom to form corner-sharing LiO4 tetrahedra. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form corner-sharing LiO4 tetrahedra. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(11) and one O(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(1) and one O(7) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(4) and one O(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(2) and one O(8) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(4) and one O(8) atom. In the ninth H site, H(9) is bonded in a distorted single-bond geometry to one O(1) and one O(9) atom. In the tenth H site, H(10) is bonded in a distorted linear geometry to one O(2) and one O(9) atom. In the eleventh H site, H(11) is bonded in a distorted single-bond geometry to one O(10) and one O(6) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(10) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(11) and one O(3) atom. In the fourteenth H site, H(14) is bonded in a distorted single-bond geometry to one O(11) and one O(2) atom. In the fifteenth H site, H(15) is bonded in a distorted single-bond geometry to one O(12) and one O(3) atom. In the sixteenth H site, H(16) is bonded in a distorted linear geometry to one O(1) and one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one V(1), one H(16), one H(5), and one H(9) atom to form distorted corner-sharing OVH3 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one V(1), one H(10), one H(14), and one H(7) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one H(13), and one H(15) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one H(6), and one H(8) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Li(1), one H(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Li(1), one H(11), one H(3), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Li(2), one H(5), and one H(6) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(2), one H(7), and one H(8) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one H(10), and one H(9) atom to form distorted OLi2H2 tetrahedra that share  a cornercorner with one O(1)VH3 tetrahedra and corners with two equivalent O(10)Li2H2 tetrahedra. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one H(11), and one H(12) atom to form distorted corner-sharing OLi2H2 tetrahedra. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one H(13), one H(14), and one H(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Li(3), one H(15), and one H(16) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V(H4O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.983
_cell_length_b   6.517
_cell_length_c   7.338
_cell_angle_alpha   89.515
_cell_angle_beta   89.356
_cell_angle_gamma   89.215
_symmetry_Int_Tables_number   1
_cell_volume   286.010
_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  0.600  0.733  0.064  1.0
  Li  Li1  1  0.004  0.233  0.356  1.0
  Li  Li2  1  0.502  0.120  0.585  1.0
  V  V3  1  0.086  0.615  0.852  1.0
  H  H4  1  0.354  0.583  0.312  1.0
  H  H5  1  0.545  0.699  0.417  1.0
  H  H6  1  0.550  0.119  0.981  1.0
  H  H7  1  0.352  0.047  0.109  1.0
  H  H8  1  0.043  0.612  0.455  1.0
  H  H9  1  0.007  0.605  0.235  1.0
  H  H10  1  0.051  0.195  0.018  1.0
  H  H11  1  0.013  0.962  0.090  1.0
  H  H12  1  0.114  0.979  0.601  1.0
  H  H13  1  0.112  0.210  0.674  1.0
  H  H14  1  0.617  0.151  0.266  1.0
  H  H15  1  0.620  0.374  0.352  1.0
  H  H16  1  0.498  0.407  0.832  1.0
  H  H17  1  0.747  0.314  0.808  1.0
  H  H18  1  0.500  0.758  0.711  1.0
  H  H19  1  0.750  0.801  0.635  1.0
  O  O20  1  0.014  0.746  0.651  1.0
  O  O21  1  0.015  0.356  0.836  1.0
  O  O22  1  0.375  0.633  0.882  1.0
  O  O23  1  0.933  0.719  0.034  1.0
  O  O24  1  0.518  0.612  0.307  1.0
  O  O25  1  0.518  0.030  0.091  1.0
  O  O26  1  0.077  0.531  0.341  1.0
  O  O27  1  0.077  0.098  0.123  1.0
  O  O28  1  0.168  0.121  0.570  1.0
  O  O29  1  0.671  0.229  0.375  1.0
  O  O30  1  0.584  0.277  0.802  1.0
  O  O31  1  0.586  0.830  0.611  1.0
[/CIF]
.
The crystal structure described by Li3V(H4O3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(10), one O(7), one O(8), and one O(9) atom to form corner-sharing LiO4 tetrahedra. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form corner-sharing LiO4 tetrahedra. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(11) and one O(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(1) and one O(7) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(4) and one O(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(2) and one O(8) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(4) and one O(8) atom. In the ninth H site, H(9) is bonded in a distorted single-bond geometry to one O(1) and one O(9) atom. In the tenth H site, H(10) is bonded in a distorted linear geometry to one O(2) and one O(9) atom. In the eleventh H site, H(11) is bonded in a distorted single-bond geometry to one O(10) and one O(6) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(10) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(11) and one O(3) atom. In the fourteenth H site, H(14) is bonded in a distorted single-bond geometry to one O(11) and one O(2) atom. In the fifteenth H site, H(15) is bonded in a distorted single-bond geometry to one O(12) and one O(3) atom. In the sixteenth H site, H(16) is bonded in a distorted linear geometry to one O(1) and one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one V(1), one H(16), one H(5), and one H(9) atom to form distorted corner-sharing OVH3 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one V(1), one H(10), one H(14), and one H(7) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one H(13), and one H(15) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one H(6), and one H(8) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Li(1), one H(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Li(1), one H(11), one H(3), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Li(2), one H(5), and one H(6) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(2), one H(7), and one H(8) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one H(10), and one H(9) atom to form distorted OLi2H2 tetrahedra that share  a cornercorner with one O(1)VH3 tetrahedra and corners with two equivalent O(10)Li2H2 tetrahedra. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one H(11), and one H(12) atom to form distorted corner-sharing OLi2H2 tetrahedra. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one H(13), one H(14), and one H(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Li(3), one H(15), and one H(16) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V(H4O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.983
_cell_length_b   6.517
_cell_length_c   7.338
_cell_angle_alpha   89.515
_cell_angle_beta   89.356
_cell_angle_gamma   89.215
_symmetry_Int_Tables_number   1
_cell_volume   286.010
_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  0.600  0.733  0.064  1.0
  Li  Li1  1  0.004  0.233  0.356  1.0
  Li  Li2  1  0.502  0.120  0.585  1.0
  V  V3  1  0.086  0.615  0.852  1.0
  H  H4  1  0.354  0.583  0.312  1.0
  H  H5  1  0.545  0.699  0.417  1.0
  H  H6  1  0.550  0.119  0.981  1.0
  H  H7  1  0.352  0.047  0.109  1.0
  H  H8  1  0.043  0.612  0.455  1.0
  H  H9  1  0.007  0.605  0.235  1.0
  H  H10  1  0.051  0.195  0.018  1.0
  H  H11  1  0.013  0.962  0.090  1.0
  H  H12  1  0.114  0.979  0.601  1.0
  H  H13  1  0.112  0.210  0.674  1.0
  H  H14  1  0.617  0.151  0.266  1.0
  H  H15  1  0.620  0.374  0.352  1.0
  H  H16  1  0.498  0.407  0.832  1.0
  H  H17  1  0.747  0.314  0.808  1.0
  H  H18  1  0.500  0.758  0.711  1.0
  H  H19  1  0.750  0.801  0.635  1.0
  O  O20  1  0.014  0.746  0.651  1.0
  O  O21  1  0.015  0.356  0.836  1.0
  O  O22  1  0.375  0.633  0.882  1.0
  O  O23  1  0.933  0.719  0.034  1.0
  O  O24  1  0.518  0.612  0.307  1.0
  O  O25  1  0.518  0.030  0.091  1.0
  O  O26  1  0.077  0.531  0.341  1.0
  O  O27  1  0.077  0.098  0.123  1.0
  O  O28  1  0.168  0.121  0.570  1.0
  O  O29  1  0.671  0.229  0.375  1.0
  O  O30  1  0.584  0.277  0.802  1.0
  O  O31  1  0.586  0.830  0.611  1.0
[/CIF]
.