The crystal structure described by Li2VP4(HO2)8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(6), and one O(8) atom. V(1) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two 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(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(3) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(1) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one P(1), one H(1), and one H(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one H(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one P(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one P(2) and one H(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Li(1), one V(1), one H(3), and one H(4) atom. is represented by the CIF card [CIF]
data_Li2VP4(HO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.760
_cell_length_b   7.132
_cell_length_c   7.346
_cell_angle_alpha   79.307
_cell_angle_beta   77.411
_cell_angle_gamma   79.393
_symmetry_Int_Tables_number   1
_cell_volume   335.801
_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  0.186  0.723  0.289  1.0
  Li  Li1  1  0.814  0.277  0.711  1.0
  V  V2  1  0.500  0.500  0.500  1.0
  P  P3  1  0.305  0.283  0.233  1.0
  P  P4  1  0.240  0.821  0.770  1.0
  P  P5  1  0.760  0.179  0.230  1.0
  P  P6  1  0.695  0.717  0.767  1.0
  H  H7  1  0.041  0.274  0.043  1.0
  H  H8  1  0.227  0.061  0.484  1.0
  H  H9  1  0.402  0.172  0.720  1.0
  H  H10  1  0.385  0.317  0.860  1.0
  H  H11  1  0.615  0.683  0.140  1.0
  H  H12  1  0.598  0.828  0.280  1.0
  H  H13  1  0.773  0.939  0.516  1.0
  H  H14  1  0.959  0.726  0.957  1.0
  O  O15  1  0.217  0.349  0.055  1.0
  O  O16  1  0.232  0.088  0.336  1.0
  O  O17  1  0.089  0.786  0.963  1.0
  O  O18  1  0.221  0.035  0.684  1.0
  O  O19  1  0.271  0.433  0.364  1.0
  O  O20  1  0.239  0.688  0.630  1.0
  O  O21  1  0.547  0.234  0.151  1.0
  O  O22  1  0.525  0.727  0.258  1.0
  O  O23  1  0.475  0.273  0.742  1.0
  O  O24  1  0.453  0.766  0.849  1.0
  O  O25  1  0.761  0.312  0.370  1.0
  O  O26  1  0.729  0.567  0.636  1.0
  O  O27  1  0.779  0.965  0.316  1.0
  O  O28  1  0.911  0.214  0.037  1.0
  O  O29  1  0.768  0.912  0.664  1.0
  O  O30  1  0.783  0.651  0.945  1.0
[/CIF]
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The crystal structure described by Li2VP4(HO2)8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(6), and one O(8) atom. V(1) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two 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(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(3) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(1) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one P(1), one H(1), and one H(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one H(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one P(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one P(2) and one H(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Li(1), one V(1), one H(3), and one H(4) atom. is represented by the CIF card [CIF]
data_Li2VP4(HO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.760
_cell_length_b   7.132
_cell_length_c   7.346
_cell_angle_alpha   79.307
_cell_angle_beta   77.411
_cell_angle_gamma   79.393
_symmetry_Int_Tables_number   1
_cell_volume   335.801
_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  0.186  0.723  0.289  1.0
  Li  Li1  1  0.814  0.277  0.711  1.0
  V  V2  1  0.500  0.500  0.500  1.0
  P  P3  1  0.305  0.283  0.233  1.0
  P  P4  1  0.240  0.821  0.770  1.0
  P  P5  1  0.760  0.179  0.230  1.0
  P  P6  1  0.695  0.717  0.767  1.0
  H  H7  1  0.041  0.274  0.043  1.0
  H  H8  1  0.227  0.061  0.484  1.0
  H  H9  1  0.402  0.172  0.720  1.0
  H  H10  1  0.385  0.317  0.860  1.0
  H  H11  1  0.615  0.683  0.140  1.0
  H  H12  1  0.598  0.828  0.280  1.0
  H  H13  1  0.773  0.939  0.516  1.0
  H  H14  1  0.959  0.726  0.957  1.0
  O  O15  1  0.217  0.349  0.055  1.0
  O  O16  1  0.232  0.088  0.336  1.0
  O  O17  1  0.089  0.786  0.963  1.0
  O  O18  1  0.221  0.035  0.684  1.0
  O  O19  1  0.271  0.433  0.364  1.0
  O  O20  1  0.239  0.688  0.630  1.0
  O  O21  1  0.547  0.234  0.151  1.0
  O  O22  1  0.525  0.727  0.258  1.0
  O  O23  1  0.475  0.273  0.742  1.0
  O  O24  1  0.453  0.766  0.849  1.0
  O  O25  1  0.761  0.312  0.370  1.0
  O  O26  1  0.729  0.567  0.636  1.0
  O  O27  1  0.779  0.965  0.316  1.0
  O  O28  1  0.911  0.214  0.037  1.0
  O  O29  1  0.768  0.912  0.664  1.0
  O  O30  1  0.783  0.651  0.945  1.0
[/CIF]
.