The structure described by Li2FePO5 crystallizes in the monoclinic Pc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(6), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(10), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(5), one O(7), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent P(1)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(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and corners with two equivalent Fe(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(4), one Fe(1), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(4), 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(2), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Fe(1), and one Fe(2) atom to form corner-sharing OLi2Fe2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one P(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one P(2) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Fe(1), and one P(1) atom to form corner-sharing OLi2FeP tetrahedra. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Li(2), one Fe(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2FePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.608
_cell_length_b   4.886
_cell_length_c   16.557
_cell_angle_alpha   73.326
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.644
_cell_formula_units_Z   4
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  0.577  0.592  0.411  1.0
  Li  Li1  1  0.087  0.910  0.093  1.0
  Li  Li2  1  0.093  0.493  0.510  1.0
  Li  Li3  1  0.424  0.194  0.306  1.0
  Li  Li4  1  0.913  0.910  0.593  1.0
  Li  Li5  1  0.423  0.592  0.911  1.0
  Li  Li6  1  0.907  0.493  0.010  1.0
  Li  Li7  1  0.576  0.194  0.806  1.0
  Fe  Fe8  1  0.081  0.708  0.298  1.0
  Fe  Fe9  1  0.584  0.810  0.197  1.0
  Fe  Fe10  1  0.919  0.708  0.798  1.0
  Fe  Fe11  1  0.416  0.810  0.697  1.0
  P  P12  1  0.085  0.111  0.902  1.0
  P  P13  1  0.590  0.409  0.596  1.0
  P  P14  1  0.915  0.111  0.402  1.0
  P  P15  1  0.410  0.409  0.096  1.0
  O  O16  1  0.924  0.291  0.825  1.0
  O  O17  1  0.480  0.438  0.682  1.0
  O  O18  1  0.911  0.871  0.200  1.0
  O  O19  1  0.411  0.793  0.298  1.0
  O  O20  1  0.846  0.520  0.588  1.0
  O  O21  1  0.341  0.218  0.889  1.0
  O  O22  1  0.972  0.126  0.984  1.0
  O  O23  1  0.431  0.555  0.522  1.0
  O  O24  1  0.929  0.791  0.395  1.0
  O  O25  1  0.409  0.074  0.110  1.0
  O  O26  1  0.076  0.291  0.325  1.0
  O  O27  1  0.520  0.438  0.182  1.0
  O  O28  1  0.089  0.871  0.700  1.0
  O  O29  1  0.589  0.793  0.798  1.0
  O  O30  1  0.659  0.218  0.389  1.0
  O  O31  1  0.154  0.520  0.088  1.0
  O  O32  1  0.028  0.126  0.484  1.0
  O  O33  1  0.569  0.555  0.022  1.0
  O  O34  1  0.071  0.791  0.895  1.0
  O  O35  1  0.591  0.074  0.610  1.0
[/CIF]
.
The structure described by Li2FePO5 crystallizes in the monoclinic Pc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(6), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(10), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(5), one O(7), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent P(1)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(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and corners with two equivalent Fe(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(4), one Fe(1), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(4), 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(2), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Fe(1), and one Fe(2) atom to form corner-sharing OLi2Fe2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one P(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one P(2) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Fe(1), and one P(1) atom to form corner-sharing OLi2FeP tetrahedra. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Li(2), one Fe(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2FePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.608
_cell_length_b   4.886
_cell_length_c   16.557
_cell_angle_alpha   73.326
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.644
_cell_formula_units_Z   4
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  0.577  0.592  0.411  1.0
  Li  Li1  1  0.087  0.910  0.093  1.0
  Li  Li2  1  0.093  0.493  0.510  1.0
  Li  Li3  1  0.424  0.194  0.306  1.0
  Li  Li4  1  0.913  0.910  0.593  1.0
  Li  Li5  1  0.423  0.592  0.911  1.0
  Li  Li6  1  0.907  0.493  0.010  1.0
  Li  Li7  1  0.576  0.194  0.806  1.0
  Fe  Fe8  1  0.081  0.708  0.298  1.0
  Fe  Fe9  1  0.584  0.810  0.197  1.0
  Fe  Fe10  1  0.919  0.708  0.798  1.0
  Fe  Fe11  1  0.416  0.810  0.697  1.0
  P  P12  1  0.085  0.111  0.902  1.0
  P  P13  1  0.590  0.409  0.596  1.0
  P  P14  1  0.915  0.111  0.402  1.0
  P  P15  1  0.410  0.409  0.096  1.0
  O  O16  1  0.924  0.291  0.825  1.0
  O  O17  1  0.480  0.438  0.682  1.0
  O  O18  1  0.911  0.871  0.200  1.0
  O  O19  1  0.411  0.793  0.298  1.0
  O  O20  1  0.846  0.520  0.588  1.0
  O  O21  1  0.341  0.218  0.889  1.0
  O  O22  1  0.972  0.126  0.984  1.0
  O  O23  1  0.431  0.555  0.522  1.0
  O  O24  1  0.929  0.791  0.395  1.0
  O  O25  1  0.409  0.074  0.110  1.0
  O  O26  1  0.076  0.291  0.325  1.0
  O  O27  1  0.520  0.438  0.182  1.0
  O  O28  1  0.089  0.871  0.700  1.0
  O  O29  1  0.589  0.793  0.798  1.0
  O  O30  1  0.659  0.218  0.389  1.0
  O  O31  1  0.154  0.520  0.088  1.0
  O  O32  1  0.028  0.126  0.484  1.0
  O  O33  1  0.569  0.555  0.022  1.0
  O  O34  1  0.071  0.791  0.895  1.0
  O  O35  1  0.591  0.074  0.610  1.0
[/CIF]
.