The structure described by LiFe(PO3)4 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(3), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. Fe(1) is bonded to one O(1), one O(11), one O(3), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with two equivalent Li(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-62°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-61°. In the third P site, P(3) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-61°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-63°. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the second O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(2) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the fourth O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(4) atom. In the fifth O site, O(12) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the sixth 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 seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one P(3) atom. In the eighth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(3) atom. In the ninth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the tenth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the eleventh O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the twelfth O site, O(7) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. is represented by the CIF card [CIF]
data_LiFe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.212
_cell_length_b   7.212
_cell_length_c   10.062
_cell_angle_alpha   66.538
_cell_angle_beta   66.538
_cell_angle_gamma   70.236
_symmetry_Int_Tables_number   1
_cell_volume   430.253
_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  0.999  0.507  1.000  1.0
  Li  Li1  1  0.507  0.999  0.500  1.0
  Fe  Fe2  1  0.052  0.952  0.751  1.0
  Fe  Fe3  1  0.952  0.052  0.251  1.0
  P  P4  1  0.270  0.754  0.023  1.0
  P  P5  1  0.691  0.716  0.801  1.0
  P  P6  1  0.287  0.314  0.698  1.0
  P  P7  1  0.250  0.734  0.480  1.0
  P  P8  1  0.754  0.270  0.523  1.0
  P  P9  1  0.716  0.691  0.301  1.0
  P  P10  1  0.314  0.287  0.198  1.0
  P  P11  1  0.734  0.250  0.980  1.0
  O  O12  1  0.189  0.732  0.913  1.0
  O  O13  1  0.352  0.191  0.345  1.0
  O  O14  1  0.268  0.122  0.680  1.0
  O  O15  1  0.298  0.539  0.153  1.0
  O  O16  1  0.502  0.789  0.939  1.0
  O  O17  1  0.153  0.920  0.098  1.0
  O  O18  1  0.210  0.504  0.562  1.0
  O  O19  1  0.191  0.352  0.845  1.0
  O  O20  1  0.732  0.189  0.413  1.0
  O  O21  1  0.086  0.857  0.404  1.0
  O  O22  1  0.881  0.737  0.821  1.0
  O  O23  1  0.539  0.298  0.653  1.0
  O  O24  1  0.466  0.702  0.351  1.0
  O  O25  1  0.122  0.268  0.180  1.0
  O  O26  1  0.920  0.153  0.598  1.0
  O  O27  1  0.273  0.813  0.590  1.0
  O  O28  1  0.807  0.653  0.153  1.0
  O  O29  1  0.789  0.502  0.439  1.0
  O  O30  1  0.857  0.086  0.904  1.0
  O  O31  1  0.504  0.210  0.062  1.0
  O  O32  1  0.702  0.466  0.851  1.0
  O  O33  1  0.737  0.881  0.321  1.0
  O  O34  1  0.653  0.807  0.653  1.0
  O  O35  1  0.813  0.273  0.090  1.0
[/CIF]
.
The structure described by LiFe(PO3)4 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(3), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. Fe(1) is bonded to one O(1), one O(11), one O(3), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with two equivalent Li(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-62°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-61°. In the third P site, P(3) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-61°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-63°. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the second O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(2) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the fourth O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(4) atom. In the fifth O site, O(12) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the sixth 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 seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one P(3) atom. In the eighth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(3) atom. In the ninth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the tenth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the eleventh O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the twelfth O site, O(7) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. is represented by the CIF card [CIF]
data_LiFe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.212
_cell_length_b   7.212
_cell_length_c   10.062
_cell_angle_alpha   66.538
_cell_angle_beta   66.538
_cell_angle_gamma   70.236
_symmetry_Int_Tables_number   1
_cell_volume   430.253
_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  0.999  0.507  1.000  1.0
  Li  Li1  1  0.507  0.999  0.500  1.0
  Fe  Fe2  1  0.052  0.952  0.751  1.0
  Fe  Fe3  1  0.952  0.052  0.251  1.0
  P  P4  1  0.270  0.754  0.023  1.0
  P  P5  1  0.691  0.716  0.801  1.0
  P  P6  1  0.287  0.314  0.698  1.0
  P  P7  1  0.250  0.734  0.480  1.0
  P  P8  1  0.754  0.270  0.523  1.0
  P  P9  1  0.716  0.691  0.301  1.0
  P  P10  1  0.314  0.287  0.198  1.0
  P  P11  1  0.734  0.250  0.980  1.0
  O  O12  1  0.189  0.732  0.913  1.0
  O  O13  1  0.352  0.191  0.345  1.0
  O  O14  1  0.268  0.122  0.680  1.0
  O  O15  1  0.298  0.539  0.153  1.0
  O  O16  1  0.502  0.789  0.939  1.0
  O  O17  1  0.153  0.920  0.098  1.0
  O  O18  1  0.210  0.504  0.562  1.0
  O  O19  1  0.191  0.352  0.845  1.0
  O  O20  1  0.732  0.189  0.413  1.0
  O  O21  1  0.086  0.857  0.404  1.0
  O  O22  1  0.881  0.737  0.821  1.0
  O  O23  1  0.539  0.298  0.653  1.0
  O  O24  1  0.466  0.702  0.351  1.0
  O  O25  1  0.122  0.268  0.180  1.0
  O  O26  1  0.920  0.153  0.598  1.0
  O  O27  1  0.273  0.813  0.590  1.0
  O  O28  1  0.807  0.653  0.153  1.0
  O  O29  1  0.789  0.502  0.439  1.0
  O  O30  1  0.857  0.086  0.904  1.0
  O  O31  1  0.504  0.210  0.062  1.0
  O  O32  1  0.702  0.466  0.851  1.0
  O  O33  1  0.737  0.881  0.321  1.0
  O  O34  1  0.653  0.807  0.653  1.0
  O  O35  1  0.813  0.273  0.090  1.0
[/CIF]
.