The structure described by LiFe2(PO4)2 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with three equivalent Fe(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra, and corners with three equivalent Fe(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(2), and one P(1) atom. is represented by the CIF file [CIF]
data_LiFe2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.246
_cell_length_b   8.537
_cell_length_c   8.774
_cell_angle_alpha   71.191
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   371.937
_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  0.824  0.094  0.032  1.0
  Li  Li1  1  0.176  0.594  0.032  1.0
  Fe  Fe2  1  0.806  0.338  0.267  1.0
  Fe  Fe3  1  0.317  0.502  0.743  1.0
  Fe  Fe4  1  0.194  0.838  0.267  1.0
  Fe  Fe5  1  0.683  0.002  0.743  1.0
  P  P6  1  0.311  0.232  0.125  1.0
  P  P7  1  0.814  0.359  0.639  1.0
  P  P8  1  0.689  0.732  0.125  1.0
  P  P9  1  0.186  0.859  0.639  1.0
  O  O10  1  0.184  0.076  0.103  1.0
  O  O11  1  0.349  0.998  0.669  1.0
  O  O12  1  0.602  0.203  0.155  1.0
  O  O13  1  0.185  0.286  0.257  1.0
  O  O14  1  0.784  0.200  0.791  1.0
  O  O15  1  0.726  0.308  0.496  1.0
  O  O16  1  0.094  0.418  0.621  1.0
  O  O17  1  0.816  0.576  0.103  1.0
  O  O18  1  0.273  0.381  0.964  1.0
  O  O19  1  0.651  0.498  0.669  1.0
  O  O20  1  0.398  0.703  0.155  1.0
  O  O21  1  0.815  0.786  0.257  1.0
  O  O22  1  0.216  0.700  0.791  1.0
  O  O23  1  0.274  0.808  0.496  1.0
  O  O24  1  0.906  0.918  0.621  1.0
  O  O25  1  0.727  0.881  0.964  1.0
[/CIF]
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The structure described by LiFe2(PO4)2 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with three equivalent Fe(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra, and corners with three equivalent Fe(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(2), and one P(1) atom. is represented by the CIF file [CIF]
data_LiFe2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.246
_cell_length_b   8.537
_cell_length_c   8.774
_cell_angle_alpha   71.191
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   371.937
_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  0.824  0.094  0.032  1.0
  Li  Li1  1  0.176  0.594  0.032  1.0
  Fe  Fe2  1  0.806  0.338  0.267  1.0
  Fe  Fe3  1  0.317  0.502  0.743  1.0
  Fe  Fe4  1  0.194  0.838  0.267  1.0
  Fe  Fe5  1  0.683  0.002  0.743  1.0
  P  P6  1  0.311  0.232  0.125  1.0
  P  P7  1  0.814  0.359  0.639  1.0
  P  P8  1  0.689  0.732  0.125  1.0
  P  P9  1  0.186  0.859  0.639  1.0
  O  O10  1  0.184  0.076  0.103  1.0
  O  O11  1  0.349  0.998  0.669  1.0
  O  O12  1  0.602  0.203  0.155  1.0
  O  O13  1  0.185  0.286  0.257  1.0
  O  O14  1  0.784  0.200  0.791  1.0
  O  O15  1  0.726  0.308  0.496  1.0
  O  O16  1  0.094  0.418  0.621  1.0
  O  O17  1  0.816  0.576  0.103  1.0
  O  O18  1  0.273  0.381  0.964  1.0
  O  O19  1  0.651  0.498  0.669  1.0
  O  O20  1  0.398  0.703  0.155  1.0
  O  O21  1  0.815  0.786  0.257  1.0
  O  O22  1  0.216  0.700  0.791  1.0
  O  O23  1  0.274  0.808  0.496  1.0
  O  O24  1  0.906  0.918  0.621  1.0
  O  O25  1  0.727  0.881  0.964  1.0
[/CIF]
.