The structure described by Li3Fe(PO4)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a distorted bent 150 degrees geometry to one O(2), one O(4), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(3), one O(5), and one O(6) atom. Fe(1) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three 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(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-46°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(3) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Fe(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Fe(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Fe(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Fe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.295
_cell_length_b   7.066
_cell_length_c   8.563
_cell_angle_alpha   85.863
_cell_angle_beta   90.021
_cell_angle_gamma   90.018
_symmetry_Int_Tables_number   1
_cell_volume   319.609
_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
  Fe  Fe0  1  0.750  0.043  0.251  1.0
  Fe  Fe1  1  0.250  0.957  0.749  1.0
  Li  Li2  1  0.250  0.650  0.015  1.0
  Li  Li3  1  0.750  0.350  0.985  1.0
  Li  Li4  1  0.751  0.484  0.274  1.0
  Li  Li5  1  0.249  0.516  0.726  1.0
  Li  Li6  1  0.250  0.300  0.345  1.0
  Li  Li7  1  0.750  0.700  0.655  1.0
  O  O8  1  0.250  0.043  0.963  1.0
  O  O9  1  0.750  0.957  0.037  1.0
  O  O10  1  0.750  0.597  0.069  1.0
  O  O11  1  0.250  0.403  0.931  1.0
  O  O12  1  0.249  0.570  0.334  1.0
  O  O13  1  0.751  0.430  0.666  1.0
  O  O14  1  0.750  0.254  0.417  1.0
  O  O15  1  0.250  0.746  0.583  1.0
  O  O16  1  0.485  0.240  0.157  1.0
  O  O17  1  0.015  0.240  0.157  1.0
  O  O18  1  0.985  0.760  0.843  1.0
  O  O19  1  0.515  0.760  0.843  1.0
  O  O20  1  0.491  0.878  0.346  1.0
  O  O21  1  0.010  0.879  0.346  1.0
  O  O22  1  0.990  0.121  0.654  1.0
  O  O23  1  0.509  0.122  0.654  1.0
  P  P24  1  0.250  0.226  0.046  1.0
  P  P25  1  0.750  0.774  0.954  1.0
  P  P26  1  0.250  0.767  0.399  1.0
  P  P27  1  0.750  0.233  0.601  1.0
[/CIF]
.
The structure described by Li3Fe(PO4)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a distorted bent 150 degrees geometry to one O(2), one O(4), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(3), one O(5), and one O(6) atom. Fe(1) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three 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(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-46°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(3) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Fe(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Fe(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Fe(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Fe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.295
_cell_length_b   7.066
_cell_length_c   8.563
_cell_angle_alpha   85.863
_cell_angle_beta   90.021
_cell_angle_gamma   90.018
_symmetry_Int_Tables_number   1
_cell_volume   319.609
_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
  Fe  Fe0  1  0.750  0.043  0.251  1.0
  Fe  Fe1  1  0.250  0.957  0.749  1.0
  Li  Li2  1  0.250  0.650  0.015  1.0
  Li  Li3  1  0.750  0.350  0.985  1.0
  Li  Li4  1  0.751  0.484  0.274  1.0
  Li  Li5  1  0.249  0.516  0.726  1.0
  Li  Li6  1  0.250  0.300  0.345  1.0
  Li  Li7  1  0.750  0.700  0.655  1.0
  O  O8  1  0.250  0.043  0.963  1.0
  O  O9  1  0.750  0.957  0.037  1.0
  O  O10  1  0.750  0.597  0.069  1.0
  O  O11  1  0.250  0.403  0.931  1.0
  O  O12  1  0.249  0.570  0.334  1.0
  O  O13  1  0.751  0.430  0.666  1.0
  O  O14  1  0.750  0.254  0.417  1.0
  O  O15  1  0.250  0.746  0.583  1.0
  O  O16  1  0.485  0.240  0.157  1.0
  O  O17  1  0.015  0.240  0.157  1.0
  O  O18  1  0.985  0.760  0.843  1.0
  O  O19  1  0.515  0.760  0.843  1.0
  O  O20  1  0.491  0.878  0.346  1.0
  O  O21  1  0.010  0.879  0.346  1.0
  O  O22  1  0.990  0.121  0.654  1.0
  O  O23  1  0.509  0.122  0.654  1.0
  P  P24  1  0.250  0.226  0.046  1.0
  P  P25  1  0.750  0.774  0.954  1.0
  P  P26  1  0.250  0.767  0.399  1.0
  P  P27  1  0.750  0.233  0.601  1.0
[/CIF]
.