The compound described by Li2Fe5(PO4)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(8) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted FeO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra and corners with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-42°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Fe(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(3), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe5(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.330
_cell_length_b   8.125
_cell_length_c   8.312
_cell_angle_alpha   111.193
_cell_angle_beta   91.333
_cell_angle_gamma   101.445
_symmetry_Int_Tables_number   1
_cell_volume   327.150
_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  0.345  0.928  0.731  1.0
  Li  Li1  1  0.655  0.072  0.269  1.0
  Fe  Fe2  1  0.364  0.591  0.336  1.0
  Fe  Fe3  1  0.636  0.409  0.664  1.0
  Fe  Fe4  1  0.000  1.000  1.000  1.0
  Fe  Fe5  1  0.905  0.747  0.216  1.0
  Fe  Fe6  1  0.095  0.253  0.784  1.0
  P  P7  1  0.867  0.788  0.573  1.0
  P  P8  1  0.133  0.212  0.427  1.0
  P  P9  1  0.628  0.298  0.019  1.0
  P  P10  1  0.372  0.702  0.981  1.0
  O  O11  1  0.128  0.759  0.501  1.0
  O  O12  1  0.872  0.241  0.499  1.0
  O  O13  1  0.077  0.032  0.263  1.0
  O  O14  1  0.923  0.968  0.737  1.0
  O  O15  1  0.232  0.673  0.137  1.0
  O  O16  1  0.768  0.327  0.863  1.0
  O  O17  1  0.720  0.634  0.619  1.0
  O  O18  1  0.280  0.366  0.380  1.0
  O  O19  1  0.655  0.807  0.055  1.0
  O  O20  1  0.345  0.193  0.944  1.0
  O  O21  1  0.691  0.812  0.432  1.0
  O  O22  1  0.309  0.188  0.568  1.0
  O  O23  1  0.643  0.485  0.163  1.0
  O  O24  1  0.357  0.515  0.837  1.0
  O  O25  1  0.240  0.820  0.912  1.0
  O  O26  1  0.760  0.180  0.088  1.0
[/CIF]
.
The compound described by Li2Fe5(PO4)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(8) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted FeO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra and corners with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-42°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Fe(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(3), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe5(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.330
_cell_length_b   8.125
_cell_length_c   8.312
_cell_angle_alpha   111.193
_cell_angle_beta   91.333
_cell_angle_gamma   101.445
_symmetry_Int_Tables_number   1
_cell_volume   327.150
_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  0.345  0.928  0.731  1.0
  Li  Li1  1  0.655  0.072  0.269  1.0
  Fe  Fe2  1  0.364  0.591  0.336  1.0
  Fe  Fe3  1  0.636  0.409  0.664  1.0
  Fe  Fe4  1  0.000  1.000  1.000  1.0
  Fe  Fe5  1  0.905  0.747  0.216  1.0
  Fe  Fe6  1  0.095  0.253  0.784  1.0
  P  P7  1  0.867  0.788  0.573  1.0
  P  P8  1  0.133  0.212  0.427  1.0
  P  P9  1  0.628  0.298  0.019  1.0
  P  P10  1  0.372  0.702  0.981  1.0
  O  O11  1  0.128  0.759  0.501  1.0
  O  O12  1  0.872  0.241  0.499  1.0
  O  O13  1  0.077  0.032  0.263  1.0
  O  O14  1  0.923  0.968  0.737  1.0
  O  O15  1  0.232  0.673  0.137  1.0
  O  O16  1  0.768  0.327  0.863  1.0
  O  O17  1  0.720  0.634  0.619  1.0
  O  O18  1  0.280  0.366  0.380  1.0
  O  O19  1  0.655  0.807  0.055  1.0
  O  O20  1  0.345  0.193  0.944  1.0
  O  O21  1  0.691  0.812  0.432  1.0
  O  O22  1  0.309  0.188  0.568  1.0
  O  O23  1  0.643  0.485  0.163  1.0
  O  O24  1  0.357  0.515  0.837  1.0
  O  O25  1  0.240  0.820  0.912  1.0
  O  O26  1  0.760  0.180  0.088  1.0
[/CIF]
.