The material described by LiVFeP2(HO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 2-coordinate geometry to one O(2) and one O(7) atom. V(1) is bonded in a 2-coordinate geometry to one H(1), one H(2), one O(1), and one O(9) atom. Fe(1) is bonded in a 5-coordinate geometry to one P(1), one P(2), one O(3), one O(6), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 1-coordinate geometry to one Fe(1), one H(1), one O(2), and one O(5) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one Fe(1), one H(2), one O(6), and one O(9) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the second H site, H(2) is bonded in a distorted T-shaped geometry to one V(1), one P(2), and one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one V(1), one H(2), one O(3), and one O(7) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Li(1), one P(1), and one O(9) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Fe(1) and one O(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(7) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Fe(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Li(1), one O(1), and one O(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Fe(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one V(1), one P(2), and one O(2) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one O(4) atom. is represented by the CIF card [CIF]
data_LiVFeP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.217
_cell_length_b   5.301
_cell_length_c   7.421
_cell_angle_alpha   110.151
_cell_angle_beta   105.199
_cell_angle_gamma   97.908
_symmetry_Int_Tables_number   1
_cell_volume   179.932
_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  0.619  0.255  0.155  1.0
  V  V1  1  0.494  0.493  0.504  1.0
  Fe  Fe2  1  0.009  0.010  0.996  1.0
  P  P3  1  0.088  0.414  0.229  1.0
  P  P4  1  0.902  0.582  0.774  1.0
  H  H5  1  0.297  0.591  0.349  1.0
  H  H6  1  0.694  0.378  0.657  1.0
  O  O7  1  0.429  0.257  0.715  1.0
  O  O8  1  0.893  0.430  0.379  1.0
  O  O9  1  0.071  0.008  0.650  1.0
  O  O10  1  0.553  0.675  0.075  1.0
  O  O11  1  0.973  0.534  0.130  1.0
  O  O12  1  0.979  0.440  0.891  1.0
  O  O13  1  0.443  0.314  0.926  1.0
  O  O14  1  0.949  0.998  0.343  1.0
  O  O15  1  0.116  0.578  0.620  1.0
  O  O16  1  0.561  0.765  0.284  1.0
[/CIF]
.
The material described by LiVFeP2(HO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 2-coordinate geometry to one O(2) and one O(7) atom. V(1) is bonded in a 2-coordinate geometry to one H(1), one H(2), one O(1), and one O(9) atom. Fe(1) is bonded in a 5-coordinate geometry to one P(1), one P(2), one O(3), one O(6), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 1-coordinate geometry to one Fe(1), one H(1), one O(2), and one O(5) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one Fe(1), one H(2), one O(6), and one O(9) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the second H site, H(2) is bonded in a distorted T-shaped geometry to one V(1), one P(2), and one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one V(1), one H(2), one O(3), and one O(7) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Li(1), one P(1), and one O(9) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Fe(1) and one O(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(7) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Fe(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Li(1), one O(1), and one O(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Fe(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one V(1), one P(2), and one O(2) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one O(4) atom. is represented by the CIF card [CIF]
data_LiVFeP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.217
_cell_length_b   5.301
_cell_length_c   7.421
_cell_angle_alpha   110.151
_cell_angle_beta   105.199
_cell_angle_gamma   97.908
_symmetry_Int_Tables_number   1
_cell_volume   179.932
_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  0.619  0.255  0.155  1.0
  V  V1  1  0.494  0.493  0.504  1.0
  Fe  Fe2  1  0.009  0.010  0.996  1.0
  P  P3  1  0.088  0.414  0.229  1.0
  P  P4  1  0.902  0.582  0.774  1.0
  H  H5  1  0.297  0.591  0.349  1.0
  H  H6  1  0.694  0.378  0.657  1.0
  O  O7  1  0.429  0.257  0.715  1.0
  O  O8  1  0.893  0.430  0.379  1.0
  O  O9  1  0.071  0.008  0.650  1.0
  O  O10  1  0.553  0.675  0.075  1.0
  O  O11  1  0.973  0.534  0.130  1.0
  O  O12  1  0.979  0.440  0.891  1.0
  O  O13  1  0.443  0.314  0.926  1.0
  O  O14  1  0.949  0.998  0.343  1.0
  O  O15  1  0.116  0.578  0.620  1.0
  O  O16  1  0.561  0.765  0.284  1.0
[/CIF]
.