The crystal structure described by LiV2P4(HO8)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(21), one O(24), one O(5), one O(8), and one O(9) 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,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)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 79°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(23), one O(27), and one O(3) 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(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 78°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(2)O5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(13), one O(16), one O(17), one O(21), one O(28), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the third V site, V(3) is bonded to one O(12), one O(15), one O(18), one O(20), one O(27), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the fourth V site, V(4) is bonded to one O(22), one O(25), one O(26), one O(29), one O(30), and one O(31) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(16), one O(6), and one O(7) atom to form PO4 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, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-47°. In the second P site, P(2) is bonded to one O(15), one O(29), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 18-47°. In the third P site, P(3) is bonded to one O(14), one O(20), one O(22), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 12-52°. In the fourth P site, P(4) is bonded to one O(1), one O(2), one O(21), and one O(30) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-45°. In the fifth P site, P(5) is bonded to one O(11), one O(12), one O(19), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 15-45°. In the sixth P site, P(6) is bonded to one O(13), one O(3), one O(31), and one O(32) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 15-50°. In the seventh P site, P(7) is bonded to one O(17), one O(23), one O(26), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-49°. In the eighth P site, P(8) is bonded to one O(18), one O(24), one O(28), and one O(4) atom to form PO4 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, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 18-44°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(23) and one O(9) atom. In the second H site, H(2) is bonded in a linear geometry to one O(10) and one O(24) atom. In the third H site, H(3) is bonded in a linear geometry to one O(14) and one O(19) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(1) and one O(32) atom. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(4) and one H(4) atom. In the second O site, O(2) is bonded in a linear geometry to one V(1) and one P(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one P(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(8) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(1), one V(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one V(3) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one P(2), and one H(1) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Li(2), one P(1), and one H(2) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one V(1) and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(2), one V(3), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(2) and one P(6) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(3) and one H(3) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one V(3) and one P(2) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(1) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(7) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(8) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one P(5) and one H(3) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one V(3) and one P(3) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a linear geometry to one V(4) and one P(3) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(2), one P(7), and one H(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(1), one P(8), and one H(2) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 150 degrees geometry to one V(4) and one P(5) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one V(4) and one P(7) atom. In the twenty-seventh O site, O(27) is bonded in a T-shaped geometry to one Li(2), one V(3), and one P(7) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one V(2) and one P(8) atom. In the twenty-ninth O site, O(29) is bonded in a bent 150 degrees geometry to one V(4) and one P(2) atom. In the thirtieth O site, O(30) is bonded in a distorted bent 150 degrees geometry to one V(4) and one P(4) atom. In the thirty-first O site, O(31) is bonded in a linear geometry to one V(4) and one P(6) atom. In the thirty-second O site, O(32) is bonded in a bent 120 degrees geometry to one P(6) and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2P4(HO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.319
_cell_length_b   9.270
_cell_length_c   7.747
_cell_angle_alpha   78.184
_cell_angle_beta   78.196
_cell_angle_gamma   116.716
_symmetry_Int_Tables_number   1
_cell_volume   550.471
_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  0.460  0.093  0.348  1.0
  Li  Li1  1  0.042  0.411  0.653  1.0
  V  V2  1  0.249  0.249  0.500  1.0
  V  V3  1  0.499  0.998  0.995  1.0
  V  V4  1  0.997  0.501  0.015  1.0
  V  V5  1  0.755  0.754  0.497  1.0
  P  P6  1  0.260  0.606  0.268  1.0
  P  P7  1  0.755  0.105  0.269  1.0
  P  P8  1  0.644  0.499  0.228  1.0
  P  P9  1  0.146  0.000  0.227  1.0
  P  P10  1  0.356  0.506  0.765  1.0
  P  P11  1  0.852  0.005  0.768  1.0
  P  P12  1  0.741  0.396  0.738  1.0
  P  P13  1  0.241  0.893  0.740  1.0
  H  H14  1  0.757  0.267  0.514  1.0
  H  H15  1  0.254  0.763  0.511  1.0
  H  H16  1  0.486  0.495  0.988  1.0
  H  H17  1  0.985  0.991  0.989  1.0
  O  O18  1  0.117  0.064  0.052  1.0
  O  O19  1  0.172  0.119  0.351  1.0
  O  O20  1  0.011  0.186  0.644  1.0
  O  O21  1  0.224  0.051  0.687  1.0
  O  O22  1  0.629  0.077  0.156  1.0
  O  O23  1  0.133  0.578  0.149  1.0
  O  O24  1  0.272  0.445  0.314  1.0
  O  O25  1  0.492  0.317  0.357  1.0
  O  O26  1  0.681  0.135  0.441  1.0
  O  O27  1  0.183  0.628  0.447  1.0
  O  O28  1  0.326  0.383  0.649  1.0
  O  O29  1  0.191  0.517  0.814  1.0
  O  O30  1  0.695  0.024  0.815  1.0
  O  O31  1  0.623  0.567  0.049  1.0
  O  O32  1  0.930  0.268  0.136  1.0
  O  O33  1  0.431  0.764  0.138  1.0
  O  O34  1  0.567  0.239  0.862  1.0
  O  O35  1  0.068  0.728  0.862  1.0
  O  O36  1  0.377  0.434  0.948  1.0
  O  O37  1  0.810  0.481  0.174  1.0
  O  O38  1  0.305  0.981  0.192  1.0
  O  O39  1  0.676  0.617  0.349  1.0
  O  O40  1  0.823  0.372  0.558  1.0
  O  O41  1  0.315  0.872  0.554  1.0
  O  O42  1  0.518  0.681  0.637  1.0
  O  O43  1  0.730  0.560  0.676  1.0
  O  O44  1  0.872  0.425  0.844  1.0
  O  O45  1  0.364  0.916  0.852  1.0
  O  O46  1  0.775  0.946  0.320  1.0
  O  O47  1  0.981  0.823  0.363  1.0
  O  O48  1  0.828  0.885  0.647  1.0
  O  O49  1  0.876  0.929  0.946  1.0
[/CIF]
.
The crystal structure described by LiV2P4(HO8)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(21), one O(24), one O(5), one O(8), and one O(9) 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,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)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 79°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(23), one O(27), and one O(3) 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(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 78°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(2)O5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(13), one O(16), one O(17), one O(21), one O(28), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the third V site, V(3) is bonded to one O(12), one O(15), one O(18), one O(20), one O(27), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the fourth V site, V(4) is bonded to one O(22), one O(25), one O(26), one O(29), one O(30), and one O(31) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(16), one O(6), and one O(7) atom to form PO4 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, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-47°. In the second P site, P(2) is bonded to one O(15), one O(29), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 18-47°. In the third P site, P(3) is bonded to one O(14), one O(20), one O(22), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 12-52°. In the fourth P site, P(4) is bonded to one O(1), one O(2), one O(21), and one O(30) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-45°. In the fifth P site, P(5) is bonded to one O(11), one O(12), one O(19), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 15-45°. In the sixth P site, P(6) is bonded to one O(13), one O(3), one O(31), and one O(32) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 15-50°. In the seventh P site, P(7) is bonded to one O(17), one O(23), one O(26), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-49°. In the eighth P site, P(8) is bonded to one O(18), one O(24), one O(28), and one O(4) atom to form PO4 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, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 18-44°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(23) and one O(9) atom. In the second H site, H(2) is bonded in a linear geometry to one O(10) and one O(24) atom. In the third H site, H(3) is bonded in a linear geometry to one O(14) and one O(19) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(1) and one O(32) atom. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(4) and one H(4) atom. In the second O site, O(2) is bonded in a linear geometry to one V(1) and one P(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one P(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(8) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(1), one V(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one V(3) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one P(2), and one H(1) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Li(2), one P(1), and one H(2) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one V(1) and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(2), one V(3), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(2) and one P(6) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(3) and one H(3) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one V(3) and one P(2) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(1) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(7) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(8) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one P(5) and one H(3) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one V(3) and one P(3) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a linear geometry to one V(4) and one P(3) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(2), one P(7), and one H(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(1), one P(8), and one H(2) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 150 degrees geometry to one V(4) and one P(5) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one V(4) and one P(7) atom. In the twenty-seventh O site, O(27) is bonded in a T-shaped geometry to one Li(2), one V(3), and one P(7) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one V(2) and one P(8) atom. In the twenty-ninth O site, O(29) is bonded in a bent 150 degrees geometry to one V(4) and one P(2) atom. In the thirtieth O site, O(30) is bonded in a distorted bent 150 degrees geometry to one V(4) and one P(4) atom. In the thirty-first O site, O(31) is bonded in a linear geometry to one V(4) and one P(6) atom. In the thirty-second O site, O(32) is bonded in a bent 120 degrees geometry to one P(6) and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2P4(HO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.319
_cell_length_b   9.270
_cell_length_c   7.747
_cell_angle_alpha   78.184
_cell_angle_beta   78.196
_cell_angle_gamma   116.716
_symmetry_Int_Tables_number   1
_cell_volume   550.471
_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  0.460  0.093  0.348  1.0
  Li  Li1  1  0.042  0.411  0.653  1.0
  V  V2  1  0.249  0.249  0.500  1.0
  V  V3  1  0.499  0.998  0.995  1.0
  V  V4  1  0.997  0.501  0.015  1.0
  V  V5  1  0.755  0.754  0.497  1.0
  P  P6  1  0.260  0.606  0.268  1.0
  P  P7  1  0.755  0.105  0.269  1.0
  P  P8  1  0.644  0.499  0.228  1.0
  P  P9  1  0.146  0.000  0.227  1.0
  P  P10  1  0.356  0.506  0.765  1.0
  P  P11  1  0.852  0.005  0.768  1.0
  P  P12  1  0.741  0.396  0.738  1.0
  P  P13  1  0.241  0.893  0.740  1.0
  H  H14  1  0.757  0.267  0.514  1.0
  H  H15  1  0.254  0.763  0.511  1.0
  H  H16  1  0.486  0.495  0.988  1.0
  H  H17  1  0.985  0.991  0.989  1.0
  O  O18  1  0.117  0.064  0.052  1.0
  O  O19  1  0.172  0.119  0.351  1.0
  O  O20  1  0.011  0.186  0.644  1.0
  O  O21  1  0.224  0.051  0.687  1.0
  O  O22  1  0.629  0.077  0.156  1.0
  O  O23  1  0.133  0.578  0.149  1.0
  O  O24  1  0.272  0.445  0.314  1.0
  O  O25  1  0.492  0.317  0.357  1.0
  O  O26  1  0.681  0.135  0.441  1.0
  O  O27  1  0.183  0.628  0.447  1.0
  O  O28  1  0.326  0.383  0.649  1.0
  O  O29  1  0.191  0.517  0.814  1.0
  O  O30  1  0.695  0.024  0.815  1.0
  O  O31  1  0.623  0.567  0.049  1.0
  O  O32  1  0.930  0.268  0.136  1.0
  O  O33  1  0.431  0.764  0.138  1.0
  O  O34  1  0.567  0.239  0.862  1.0
  O  O35  1  0.068  0.728  0.862  1.0
  O  O36  1  0.377  0.434  0.948  1.0
  O  O37  1  0.810  0.481  0.174  1.0
  O  O38  1  0.305  0.981  0.192  1.0
  O  O39  1  0.676  0.617  0.349  1.0
  O  O40  1  0.823  0.372  0.558  1.0
  O  O41  1  0.315  0.872  0.554  1.0
  O  O42  1  0.518  0.681  0.637  1.0
  O  O43  1  0.730  0.560  0.676  1.0
  O  O44  1  0.872  0.425  0.844  1.0
  O  O45  1  0.364  0.916  0.852  1.0
  O  O46  1  0.775  0.946  0.320  1.0
  O  O47  1  0.981  0.823  0.363  1.0
  O  O48  1  0.828  0.885  0.647  1.0
  O  O49  1  0.876  0.929  0.946  1.0
[/CIF]
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