The structure described by Li3VFeP2(HO5)2 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(1), one O(3), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-60°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(4), one O(5), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and one O(8) atom. V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 52-54°. Fe(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 52-54°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-55°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(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 33-56°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Fe(1), and one H(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(3), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Fe(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Fe(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one V(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Li(2), one V(1), one Fe(1), and one H(1) atom. is represented by the CIF card [CIF]
data_Li3VFeP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.354
_cell_length_b   5.445
_cell_length_c   7.533
_cell_angle_alpha   106.155
_cell_angle_beta   108.680
_cell_angle_gamma   95.635
_symmetry_Int_Tables_number   1
_cell_volume   195.547
_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  0.765  0.405  0.833  1.0
  Li  Li1  1  0.207  0.568  0.192  1.0
  Li  Li2  1  0.536  0.866  0.150  1.0
  V  V3  1  0.009  0.002  0.507  1.0
  Fe  Fe4  1  0.996  0.998  0.993  1.0
  P  P5  1  0.674  0.373  0.227  1.0
  P  P6  1  0.322  0.625  0.765  1.0
  H  H7  1  0.332  0.080  0.355  1.0
  H  H8  1  0.656  0.944  0.652  1.0
  O  O9  1  0.839  0.054  0.713  1.0
  O  O10  1  0.745  0.206  0.368  1.0
  O  O11  1  0.312  0.336  0.656  1.0
  O  O12  1  0.375  0.261  0.093  1.0
  O  O13  1  0.862  0.349  0.107  1.0
  O  O14  1  0.141  0.652  0.893  1.0
  O  O15  1  0.619  0.738  0.914  1.0
  O  O16  1  0.690  0.668  0.334  1.0
  O  O17  1  0.256  0.782  0.619  1.0
  O  O18  1  0.168  0.944  0.285  1.0
[/CIF]
.
The structure described by Li3VFeP2(HO5)2 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(1), one O(3), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-60°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(4), one O(5), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and one O(8) atom. V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 52-54°. Fe(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 52-54°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-55°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Fe(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 33-56°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Fe(1), and one H(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(3), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Fe(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Fe(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one V(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Li(2), one V(1), one Fe(1), and one H(1) atom. is represented by the CIF card [CIF]
data_Li3VFeP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.354
_cell_length_b   5.445
_cell_length_c   7.533
_cell_angle_alpha   106.155
_cell_angle_beta   108.680
_cell_angle_gamma   95.635
_symmetry_Int_Tables_number   1
_cell_volume   195.547
_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  0.765  0.405  0.833  1.0
  Li  Li1  1  0.207  0.568  0.192  1.0
  Li  Li2  1  0.536  0.866  0.150  1.0
  V  V3  1  0.009  0.002  0.507  1.0
  Fe  Fe4  1  0.996  0.998  0.993  1.0
  P  P5  1  0.674  0.373  0.227  1.0
  P  P6  1  0.322  0.625  0.765  1.0
  H  H7  1  0.332  0.080  0.355  1.0
  H  H8  1  0.656  0.944  0.652  1.0
  O  O9  1  0.839  0.054  0.713  1.0
  O  O10  1  0.745  0.206  0.368  1.0
  O  O11  1  0.312  0.336  0.656  1.0
  O  O12  1  0.375  0.261  0.093  1.0
  O  O13  1  0.862  0.349  0.107  1.0
  O  O14  1  0.141  0.652  0.893  1.0
  O  O15  1  0.619  0.738  0.914  1.0
  O  O16  1  0.690  0.668  0.334  1.0
  O  O17  1  0.256  0.782  0.619  1.0
  O  O18  1  0.168  0.944  0.285  1.0
[/CIF]
.