The structure described by Li2VFeP2(HO5)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(9), and two equivalent O(8) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-63°. In the second Li site, Li(2) is bonded to one O(2), one O(6), one O(7), and two equivalent O(10) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent Li(2)O5 square pyramids, and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms 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 edges with four equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent Li(2)O5 square pyramids, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second Fe site, Fe(2) is bonded to two equivalent O(10), two equivalent O(2), and two equivalent O(7) atoms 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 four equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 37-55°. In the second P site, P(2) is bonded to one O(10), one O(4), 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 Fe(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-55°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) 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(2), one Fe(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(2), one V(1), one Fe(2), and one H(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(2), one Fe(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one V(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Li(1), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Fe(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2VFeP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.433
_cell_length_b   7.388
_cell_length_c   10.328
_cell_angle_alpha   108.749
_cell_angle_beta   97.911
_cell_angle_gamma   106.166
_symmetry_Int_Tables_number   1
_cell_volume   365.087
_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  0.397  0.822  0.873  1.0
  Li  Li1  1  0.397  0.824  0.373  1.0
  Li  Li2  1  0.603  0.176  0.627  1.0
  Li  Li3  1  0.603  0.178  0.127  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  V  V5  1  0.000  0.000  0.000  1.0
  Fe  Fe6  1  0.000  0.500  0.000  1.0
  Fe  Fe7  1  0.000  0.000  0.500  1.0
  P  P8  1  0.362  0.232  0.838  1.0
  P  P9  1  0.638  0.768  0.662  1.0
  P  P10  1  0.362  0.232  0.338  1.0
  P  P11  1  0.638  0.768  0.162  1.0
  H  H12  1  0.059  0.338  0.680  1.0
  H  H13  1  0.060  0.342  0.181  1.0
  H  H14  1  0.940  0.658  0.819  1.0
  H  H15  1  0.941  0.662  0.320  1.0
  O  O16  1  0.049  0.722  0.919  1.0
  O  O17  1  0.050  0.725  0.419  1.0
  O  O18  1  0.205  0.380  0.864  1.0
  O  O19  1  0.346  0.659  0.655  1.0
  O  O20  1  0.203  0.380  0.363  1.0
  O  O21  1  0.344  0.660  0.154  1.0
  O  O22  1  0.250  0.070  0.684  1.0
  O  O23  1  0.341  0.119  0.943  1.0
  O  O24  1  0.252  0.071  0.185  1.0
  O  O25  1  0.342  0.121  0.444  1.0
  O  O26  1  0.658  0.879  0.556  1.0
  O  O27  1  0.748  0.929  0.815  1.0
  O  O28  1  0.659  0.881  0.057  1.0
  O  O29  1  0.750  0.930  0.316  1.0
  O  O30  1  0.656  0.340  0.846  1.0
  O  O31  1  0.797  0.620  0.637  1.0
  O  O32  1  0.654  0.341  0.345  1.0
  O  O33  1  0.795  0.620  0.136  1.0
  O  O34  1  0.950  0.275  0.581  1.0
  O  O35  1  0.951  0.278  0.081  1.0
[/CIF]
.
The structure described by Li2VFeP2(HO5)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(9), and two equivalent O(8) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-63°. In the second Li site, Li(2) is bonded to one O(2), one O(6), one O(7), and two equivalent O(10) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent Li(2)O5 square pyramids, and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms 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 edges with four equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent Li(2)O5 square pyramids, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second Fe site, Fe(2) is bonded to two equivalent O(10), two equivalent O(2), and two equivalent O(7) atoms 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 four equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 37-55°. In the second P site, P(2) is bonded to one O(10), one O(4), 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 Fe(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-55°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) 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(2), one Fe(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(2), one V(1), one Fe(2), and one H(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(2), one Fe(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one V(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Li(1), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Fe(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2VFeP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.433
_cell_length_b   7.388
_cell_length_c   10.328
_cell_angle_alpha   108.749
_cell_angle_beta   97.911
_cell_angle_gamma   106.166
_symmetry_Int_Tables_number   1
_cell_volume   365.087
_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  0.397  0.822  0.873  1.0
  Li  Li1  1  0.397  0.824  0.373  1.0
  Li  Li2  1  0.603  0.176  0.627  1.0
  Li  Li3  1  0.603  0.178  0.127  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  V  V5  1  0.000  0.000  0.000  1.0
  Fe  Fe6  1  0.000  0.500  0.000  1.0
  Fe  Fe7  1  0.000  0.000  0.500  1.0
  P  P8  1  0.362  0.232  0.838  1.0
  P  P9  1  0.638  0.768  0.662  1.0
  P  P10  1  0.362  0.232  0.338  1.0
  P  P11  1  0.638  0.768  0.162  1.0
  H  H12  1  0.059  0.338  0.680  1.0
  H  H13  1  0.060  0.342  0.181  1.0
  H  H14  1  0.940  0.658  0.819  1.0
  H  H15  1  0.941  0.662  0.320  1.0
  O  O16  1  0.049  0.722  0.919  1.0
  O  O17  1  0.050  0.725  0.419  1.0
  O  O18  1  0.205  0.380  0.864  1.0
  O  O19  1  0.346  0.659  0.655  1.0
  O  O20  1  0.203  0.380  0.363  1.0
  O  O21  1  0.344  0.660  0.154  1.0
  O  O22  1  0.250  0.070  0.684  1.0
  O  O23  1  0.341  0.119  0.943  1.0
  O  O24  1  0.252  0.071  0.185  1.0
  O  O25  1  0.342  0.121  0.444  1.0
  O  O26  1  0.658  0.879  0.556  1.0
  O  O27  1  0.748  0.929  0.815  1.0
  O  O28  1  0.659  0.881  0.057  1.0
  O  O29  1  0.750  0.930  0.316  1.0
  O  O30  1  0.656  0.340  0.846  1.0
  O  O31  1  0.797  0.620  0.637  1.0
  O  O32  1  0.654  0.341  0.345  1.0
  O  O33  1  0.795  0.620  0.136  1.0
  O  O34  1  0.950  0.275  0.581  1.0
  O  O35  1  0.951  0.278  0.081  1.0
[/CIF]
.