The structure described by LiFe(PO3)4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(4), one O(6), one O(8), and one O(9) atom. Fe(1) is bonded to one O(11), one O(12), one O(2), one O(3), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. In the third P site, P(3) 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 P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Fe(1)O5 trigonal bipyramids. 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 P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Li(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one P(3) and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. is represented by the CIF card [CIF]
data_LiFe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.171
_cell_length_b   6.846
_cell_length_c   7.195
_cell_angle_alpha   84.973
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.994
_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  0.256  0.737  0.718  1.0
  Li  Li1  1  0.756  0.263  0.282  1.0
  Fe  Fe2  1  0.970  0.730  0.255  1.0
  Fe  Fe3  1  0.470  0.270  0.745  1.0
  P  P4  1  0.363  0.030  0.406  1.0
  P  P5  1  0.569  0.940  0.089  1.0
  P  P6  1  0.748  0.578  0.588  1.0
  P  P7  1  0.399  0.571  0.063  1.0
  P  P8  1  0.899  0.429  0.937  1.0
  P  P9  1  0.248  0.422  0.412  1.0
  P  P10  1  0.069  0.060  0.911  1.0
  P  P11  1  0.863  0.970  0.594  1.0
  O  O12  1  0.931  0.984  0.797  1.0
  O  O13  1  0.551  0.038  0.893  1.0
  O  O14  1  0.977  0.878  0.475  1.0
  O  O15  1  0.709  0.955  0.193  1.0
  O  O16  1  0.737  0.803  0.637  1.0
  O  O17  1  0.298  0.841  0.474  1.0
  O  O18  1  0.540  0.708  0.076  1.0
  O  O19  1  0.270  0.675  0.979  1.0
  O  O20  1  0.796  0.570  0.386  1.0
  O  O21  1  0.879  0.493  0.717  1.0
  O  O22  1  0.947  0.612  0.023  1.0
  O  O23  1  0.605  0.482  0.642  1.0
  O  O24  1  0.105  0.518  0.358  1.0
  O  O25  1  0.447  0.388  0.977  1.0
  O  O26  1  0.379  0.507  0.283  1.0
  O  O27  1  0.296  0.430  0.614  1.0
  O  O28  1  0.770  0.325  0.021  1.0
  O  O29  1  0.040  0.292  0.924  1.0
  O  O30  1  0.798  0.159  0.526  1.0
  O  O31  1  0.237  0.197  0.363  1.0
  O  O32  1  0.209  0.045  0.807  1.0
  O  O33  1  0.477  0.122  0.525  1.0
  O  O34  1  0.051  0.962  0.107  1.0
  O  O35  1  0.431  0.016  0.203  1.0
[/CIF]
.
The structure described by LiFe(PO3)4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(4), one O(6), one O(8), and one O(9) atom. Fe(1) is bonded to one O(11), one O(12), one O(2), one O(3), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. In the third P site, P(3) 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 P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Fe(1)O5 trigonal bipyramids. 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 P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Li(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one P(3) and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. is represented by the CIF card [CIF]
data_LiFe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.171
_cell_length_b   6.846
_cell_length_c   7.195
_cell_angle_alpha   84.973
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.994
_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  0.256  0.737  0.718  1.0
  Li  Li1  1  0.756  0.263  0.282  1.0
  Fe  Fe2  1  0.970  0.730  0.255  1.0
  Fe  Fe3  1  0.470  0.270  0.745  1.0
  P  P4  1  0.363  0.030  0.406  1.0
  P  P5  1  0.569  0.940  0.089  1.0
  P  P6  1  0.748  0.578  0.588  1.0
  P  P7  1  0.399  0.571  0.063  1.0
  P  P8  1  0.899  0.429  0.937  1.0
  P  P9  1  0.248  0.422  0.412  1.0
  P  P10  1  0.069  0.060  0.911  1.0
  P  P11  1  0.863  0.970  0.594  1.0
  O  O12  1  0.931  0.984  0.797  1.0
  O  O13  1  0.551  0.038  0.893  1.0
  O  O14  1  0.977  0.878  0.475  1.0
  O  O15  1  0.709  0.955  0.193  1.0
  O  O16  1  0.737  0.803  0.637  1.0
  O  O17  1  0.298  0.841  0.474  1.0
  O  O18  1  0.540  0.708  0.076  1.0
  O  O19  1  0.270  0.675  0.979  1.0
  O  O20  1  0.796  0.570  0.386  1.0
  O  O21  1  0.879  0.493  0.717  1.0
  O  O22  1  0.947  0.612  0.023  1.0
  O  O23  1  0.605  0.482  0.642  1.0
  O  O24  1  0.105  0.518  0.358  1.0
  O  O25  1  0.447  0.388  0.977  1.0
  O  O26  1  0.379  0.507  0.283  1.0
  O  O27  1  0.296  0.430  0.614  1.0
  O  O28  1  0.770  0.325  0.021  1.0
  O  O29  1  0.040  0.292  0.924  1.0
  O  O30  1  0.798  0.159  0.526  1.0
  O  O31  1  0.237  0.197  0.363  1.0
  O  O32  1  0.209  0.045  0.807  1.0
  O  O33  1  0.477  0.122  0.525  1.0
  O  O34  1  0.051  0.962  0.107  1.0
  O  O35  1  0.431  0.016  0.203  1.0
[/CIF]
.