The structure described by Li2Fe(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(6) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four 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(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-58°. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(5) is bonded in a 2-coordinate geometry to one Fe(1) and one P(2) atom. In the third O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(1) atom. In the fourth O site, O(7) is bonded in a distorted bent 120 degrees geometry to two equivalent P(2) atoms. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one P(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li2Fe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.519
_cell_length_b   8.519
_cell_length_c   7.478
_cell_angle_alpha   85.730
_cell_angle_beta   85.730
_cell_angle_gamma   114.341
_symmetry_Int_Tables_number   1
_cell_volume   489.755
_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  0.486  0.185  0.710  1.0
  Li  Li1  1  0.514  0.815  0.290  1.0
  Li  Li2  1  0.815  0.514  0.790  1.0
  Li  Li3  1  0.185  0.486  0.210  1.0
  Fe  Fe4  1  0.865  0.135  0.250  1.0
  Fe  Fe5  1  0.135  0.865  0.750  1.0
  P  P6  1  0.443  0.769  0.881  1.0
  P  P7  1  0.790  0.935  0.668  1.0
  P  P8  1  0.065  0.210  0.832  1.0
  P  P9  1  0.769  0.443  0.381  1.0
  P  P10  1  0.231  0.557  0.619  1.0
  P  P11  1  0.935  0.790  0.168  1.0
  P  P12  1  0.557  0.231  0.119  1.0
  P  P13  1  0.210  0.065  0.332  1.0
  O  O14  1  0.613  0.090  0.181  1.0
  O  O15  1  0.168  0.353  0.661  1.0
  O  O16  1  0.293  0.035  0.494  1.0
  O  O17  1  0.707  0.965  0.506  1.0
  O  O18  1  0.382  0.618  0.750  1.0
  O  O19  1  0.965  0.707  0.006  1.0
  O  O20  1  0.353  0.168  0.161  1.0
  O  O21  1  0.910  0.387  0.319  1.0
  O  O22  1  0.035  0.293  0.994  1.0
  O  O23  1  0.096  0.159  0.347  1.0
  O  O24  1  0.090  0.613  0.681  1.0
  O  O25  1  0.618  0.382  0.250  1.0
  O  O26  1  0.688  0.394  0.574  1.0
  O  O27  1  0.606  0.312  0.926  1.0
  O  O28  1  0.832  0.647  0.339  1.0
  O  O29  1  0.904  0.841  0.653  1.0
  O  O30  1  0.312  0.606  0.426  1.0
  O  O31  1  0.387  0.910  0.819  1.0
  O  O32  1  0.116  0.884  0.250  1.0
  O  O33  1  0.841  0.904  0.153  1.0
  O  O34  1  0.884  0.116  0.750  1.0
  O  O35  1  0.159  0.096  0.847  1.0
  O  O36  1  0.647  0.832  0.839  1.0
  O  O37  1  0.394  0.688  0.074  1.0
[/CIF]
.
The structure described by Li2Fe(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(6) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four 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(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-58°. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(5) is bonded in a 2-coordinate geometry to one Fe(1) and one P(2) atom. In the third O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(1) atom. In the fourth O site, O(7) is bonded in a distorted bent 120 degrees geometry to two equivalent P(2) atoms. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one P(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li2Fe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.519
_cell_length_b   8.519
_cell_length_c   7.478
_cell_angle_alpha   85.730
_cell_angle_beta   85.730
_cell_angle_gamma   114.341
_symmetry_Int_Tables_number   1
_cell_volume   489.755
_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  0.486  0.185  0.710  1.0
  Li  Li1  1  0.514  0.815  0.290  1.0
  Li  Li2  1  0.815  0.514  0.790  1.0
  Li  Li3  1  0.185  0.486  0.210  1.0
  Fe  Fe4  1  0.865  0.135  0.250  1.0
  Fe  Fe5  1  0.135  0.865  0.750  1.0
  P  P6  1  0.443  0.769  0.881  1.0
  P  P7  1  0.790  0.935  0.668  1.0
  P  P8  1  0.065  0.210  0.832  1.0
  P  P9  1  0.769  0.443  0.381  1.0
  P  P10  1  0.231  0.557  0.619  1.0
  P  P11  1  0.935  0.790  0.168  1.0
  P  P12  1  0.557  0.231  0.119  1.0
  P  P13  1  0.210  0.065  0.332  1.0
  O  O14  1  0.613  0.090  0.181  1.0
  O  O15  1  0.168  0.353  0.661  1.0
  O  O16  1  0.293  0.035  0.494  1.0
  O  O17  1  0.707  0.965  0.506  1.0
  O  O18  1  0.382  0.618  0.750  1.0
  O  O19  1  0.965  0.707  0.006  1.0
  O  O20  1  0.353  0.168  0.161  1.0
  O  O21  1  0.910  0.387  0.319  1.0
  O  O22  1  0.035  0.293  0.994  1.0
  O  O23  1  0.096  0.159  0.347  1.0
  O  O24  1  0.090  0.613  0.681  1.0
  O  O25  1  0.618  0.382  0.250  1.0
  O  O26  1  0.688  0.394  0.574  1.0
  O  O27  1  0.606  0.312  0.926  1.0
  O  O28  1  0.832  0.647  0.339  1.0
  O  O29  1  0.904  0.841  0.653  1.0
  O  O30  1  0.312  0.606  0.426  1.0
  O  O31  1  0.387  0.910  0.819  1.0
  O  O32  1  0.116  0.884  0.250  1.0
  O  O33  1  0.841  0.904  0.153  1.0
  O  O34  1  0.884  0.116  0.750  1.0
  O  O35  1  0.159  0.096  0.847  1.0
  O  O36  1  0.647  0.832  0.839  1.0
  O  O37  1  0.394  0.688  0.074  1.0
[/CIF]
.