The material structure described by LiV2P4(HO8)2 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(1), one O(13), one O(15), one O(16), 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(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 77°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(15), one O(2), one O(3), 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, and  a cornercorner with one Li(1)O5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(10), one O(11), one O(13), one O(4), one O(6), and one O(7) 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, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are four 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(4) 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)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-48°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), 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, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-44°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-48°. In the fourth P site, P(4) is bonded to one O(13), one O(14), one O(15), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 21-50°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(5) atom. In the second H site, H(2) is bonded in a linear geometry to one O(12) and one O(16) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a bent 120 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 V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(2) and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one V(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(3) and one H(2) atom. In the thirteenth O site, O(13) is bonded in a T-shaped geometry to one Li(1), one V(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(1), one P(4), and one H(2) atom. is represented by the CIF file [CIF]
data_LiV2P4(HO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.891
_cell_length_b   7.758
_cell_length_c   9.756
_cell_angle_alpha   66.783
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   548.895
_cell_formula_units_Z   2
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  0.131  0.401  0.726  1.0
  Li  Li1  1  0.631  0.599  0.274  1.0
  V  V2  1  0.505  0.245  0.753  1.0
  V  V3  1  0.993  0.763  0.749  1.0
  V  V4  1  0.493  0.237  0.251  1.0
  V  V5  1  0.005  0.755  0.247  1.0
  P  P6  1  0.155  0.017  0.931  1.0
  P  P7  1  0.350  0.516  0.928  1.0
  P  P8  1  0.641  0.977  0.570  1.0
  P  P9  1  0.141  0.023  0.430  1.0
  P  P10  1  0.844  0.488  0.569  1.0
  P  P11  1  0.344  0.512  0.431  1.0
  P  P12  1  0.655  0.983  0.069  1.0
  P  P13  1  0.850  0.484  0.072  1.0
  H  H14  1  0.488  0.741  0.988  1.0
  H  H15  1  0.493  0.736  0.489  1.0
  H  H16  1  0.993  0.264  0.511  1.0
  H  H17  1  0.988  0.259  0.012  1.0
  O  O18  1  0.057  0.196  0.905  1.0
  O  O19  1  0.672  0.114  0.904  1.0
  O  O20  1  0.330  0.063  0.858  1.0
  O  O21  1  0.056  0.898  0.854  1.0
  O  O22  1  0.445  0.699  0.904  1.0
  O  O23  1  0.837  0.611  0.901  1.0
  O  O24  1  0.172  0.565  0.853  1.0
  O  O25  1  0.443  0.401  0.854  1.0
  O  O26  1  0.558  0.095  0.647  1.0
  O  O27  1  0.826  0.925  0.640  1.0
  O  O28  1  0.159  0.889  0.599  1.0
  O  O29  1  0.548  0.800  0.591  1.0
  O  O30  1  0.947  0.597  0.646  1.0
  O  O31  1  0.670  0.433  0.639  1.0
  O  O32  1  0.048  0.200  0.409  1.0
  O  O33  1  0.659  0.111  0.401  1.0
  O  O34  1  0.325  0.389  0.600  1.0
  O  O35  1  0.952  0.310  0.598  1.0
  O  O36  1  0.326  0.075  0.360  1.0
  O  O37  1  0.058  0.905  0.353  1.0
  O  O38  1  0.452  0.690  0.402  1.0
  O  O39  1  0.825  0.611  0.400  1.0
  O  O40  1  0.170  0.567  0.361  1.0
  O  O41  1  0.447  0.403  0.354  1.0
  O  O42  1  0.556  0.102  0.146  1.0
  O  O43  1  0.830  0.937  0.142  1.0
  O  O44  1  0.172  0.886  0.096  1.0
  O  O45  1  0.557  0.804  0.095  1.0
  O  O46  1  0.943  0.599  0.146  1.0
  O  O47  1  0.672  0.435  0.147  1.0
  O  O48  1  0.337  0.389  0.099  1.0
  O  O49  1  0.945  0.301  0.096  1.0
[/CIF]
.
The material structure described by LiV2P4(HO8)2 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(1), one O(13), one O(15), one O(16), 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(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 77°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(15), one O(2), one O(3), 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, and  a cornercorner with one Li(1)O5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(10), one O(11), one O(13), one O(4), one O(6), and one O(7) 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, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are four 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(4) 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)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-48°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), 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, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-44°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-48°. In the fourth P site, P(4) is bonded to one O(13), one O(14), one O(15), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 21-50°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(5) atom. In the second H site, H(2) is bonded in a linear geometry to one O(12) and one O(16) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a bent 120 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 V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(2) and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one V(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(3) and one H(2) atom. In the thirteenth O site, O(13) is bonded in a T-shaped geometry to one Li(1), one V(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(1), one P(4), and one H(2) atom. is represented by the CIF file [CIF]
data_LiV2P4(HO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.891
_cell_length_b   7.758
_cell_length_c   9.756
_cell_angle_alpha   66.783
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   548.895
_cell_formula_units_Z   2
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  0.131  0.401  0.726  1.0
  Li  Li1  1  0.631  0.599  0.274  1.0
  V  V2  1  0.505  0.245  0.753  1.0
  V  V3  1  0.993  0.763  0.749  1.0
  V  V4  1  0.493  0.237  0.251  1.0
  V  V5  1  0.005  0.755  0.247  1.0
  P  P6  1  0.155  0.017  0.931  1.0
  P  P7  1  0.350  0.516  0.928  1.0
  P  P8  1  0.641  0.977  0.570  1.0
  P  P9  1  0.141  0.023  0.430  1.0
  P  P10  1  0.844  0.488  0.569  1.0
  P  P11  1  0.344  0.512  0.431  1.0
  P  P12  1  0.655  0.983  0.069  1.0
  P  P13  1  0.850  0.484  0.072  1.0
  H  H14  1  0.488  0.741  0.988  1.0
  H  H15  1  0.493  0.736  0.489  1.0
  H  H16  1  0.993  0.264  0.511  1.0
  H  H17  1  0.988  0.259  0.012  1.0
  O  O18  1  0.057  0.196  0.905  1.0
  O  O19  1  0.672  0.114  0.904  1.0
  O  O20  1  0.330  0.063  0.858  1.0
  O  O21  1  0.056  0.898  0.854  1.0
  O  O22  1  0.445  0.699  0.904  1.0
  O  O23  1  0.837  0.611  0.901  1.0
  O  O24  1  0.172  0.565  0.853  1.0
  O  O25  1  0.443  0.401  0.854  1.0
  O  O26  1  0.558  0.095  0.647  1.0
  O  O27  1  0.826  0.925  0.640  1.0
  O  O28  1  0.159  0.889  0.599  1.0
  O  O29  1  0.548  0.800  0.591  1.0
  O  O30  1  0.947  0.597  0.646  1.0
  O  O31  1  0.670  0.433  0.639  1.0
  O  O32  1  0.048  0.200  0.409  1.0
  O  O33  1  0.659  0.111  0.401  1.0
  O  O34  1  0.325  0.389  0.600  1.0
  O  O35  1  0.952  0.310  0.598  1.0
  O  O36  1  0.326  0.075  0.360  1.0
  O  O37  1  0.058  0.905  0.353  1.0
  O  O38  1  0.452  0.690  0.402  1.0
  O  O39  1  0.825  0.611  0.400  1.0
  O  O40  1  0.170  0.567  0.361  1.0
  O  O41  1  0.447  0.403  0.354  1.0
  O  O42  1  0.556  0.102  0.146  1.0
  O  O43  1  0.830  0.937  0.142  1.0
  O  O44  1  0.172  0.886  0.096  1.0
  O  O45  1  0.557  0.804  0.095  1.0
  O  O46  1  0.943  0.599  0.146  1.0
  O  O47  1  0.672  0.435  0.147  1.0
  O  O48  1  0.337  0.389  0.099  1.0
  O  O49  1  0.945  0.301  0.096  1.0
[/CIF]
.