The material described by Li3Fe2(PO4)3 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one P(1), one O(1), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Fe(1), one P(2), one O(16), and one O(5) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one P(2) and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one Fe(1), one P(4), one O(11), one O(16), and one O(19) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one Fe(4), one P(5), one O(20), and one O(9) atom. In the sixth Li site, Li(6) is bonded in a distorted single-bond geometry to one P(6), one O(17), one O(24), and one O(8) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one O(16), and one O(7) atom. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one P(1) and one O(10) atom. In the third Fe site, Fe(3) is bonded in a 1-coordinate geometry to one P(6) and one O(15) atom. In the fourth Fe site, Fe(4) is bonded in a 3-coordinate geometry to one Li(5), one P(3), one O(18), and one O(9) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to one Li(1), one Fe(2), one O(1), one O(2), and one O(8) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one O(4), and one O(5) atom. In the third P site, P(3) is bonded in a 6-coordinate geometry to one Fe(4), one O(13), one O(14), one O(15), one O(3), and one O(7) atom. In the fourth P site, P(4) is bonded in a 2-coordinate geometry to one Li(4), one O(12), one O(18), and one O(22) atom. In the fifth P site, P(5) is bonded in a 3-coordinate geometry to one Li(5), one O(20), and one O(21) atom. In the sixth P site, P(6) is bonded in a 5-coordinate geometry to one Li(6), one Fe(3), one O(17), one O(23), and one O(24) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one P(3) and one O(22) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one P(2) and one O(6) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one O(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Fe(1), one P(3), and one O(13) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(6), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(5), one Fe(4), and one O(14) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Fe(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Li(4) and one O(16) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one P(4) and one O(18) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one P(3) and one O(7) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one P(3), one O(15), and one O(9) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Fe(3), one P(3), and one O(14) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Fe(1), and one O(11) atom. In the seventeenth O site, O(17) is bonded in a 2-coordinate geometry to one Li(6) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Fe(4), one P(4), and one O(12) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Li(4) and one O(21) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Li(5) and one P(5) atom. In the twenty-first O site, O(21) is bonded in a 1-coordinate geometry to one P(5) and one O(19) atom. In the twenty-second O site, O(22) is bonded in a water-like geometry to one P(4) and one O(3) atom. In the twenty-third O site, O(23) is bonded in a single-bond geometry to one P(6) atom. In the twenty-fourth O site, O(24) is bonded in an L-shaped geometry to one Li(6) and one P(6) atom. is represented by the CIF file [CIF]
data_Li3Fe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.391
_cell_length_b   8.413
_cell_length_c   9.050
_cell_angle_alpha   117.683
_cell_angle_beta   90.025
_cell_angle_gamma   119.879
_symmetry_Int_Tables_number   1
_cell_volume   467.635
_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  0.081  0.123  0.148  1.0
  Li  Li1  1  0.329  0.780  0.142  1.0
  Li  Li2  1  0.745  0.177  0.380  1.0
  Li  Li3  1  0.267  0.461  0.864  1.0
  Li  Li4  1  0.671  0.205  0.865  1.0
  Li  Li5  1  0.922  0.870  0.863  1.0
  Fe  Fe6  1  0.357  0.609  0.047  1.0
  Fe  Fe7  1  0.150  0.412  0.441  1.0
  Fe  Fe8  1  0.857  0.586  0.561  1.0
  Fe  Fe9  1  0.653  0.394  0.956  1.0
  P  P10  1  0.039  0.300  0.244  1.0
  P  P11  1  0.458  0.998  0.254  1.0
  P  P12  1  0.751  0.705  0.251  1.0
  P  P13  1  0.253  0.288  0.753  1.0
  P  P14  1  0.538  0.998  0.749  1.0
  P  P15  1  0.960  0.693  0.758  1.0
  O  O16  1  0.173  0.315  0.196  1.0
  O  O17  1  0.133  0.490  0.261  1.0
  O  O18  1  0.998  0.980  0.414  1.0
  O  O19  1  0.462  0.108  0.102  1.0
  O  O20  1  0.252  0.853  0.271  1.0
  O  O21  1  0.493  0.264  0.203  1.0
  O  O22  1  0.533  0.638  0.196  1.0
  O  O23  1  0.795  0.053  0.095  1.0
  O  O24  1  0.847  0.446  0.089  1.0
  O  O25  1  0.198  0.411  0.586  1.0
  O  O26  1  0.127  0.410  0.731  1.0
  O  O27  1  0.385  0.221  0.575  1.0
  O  O28  1  0.617  0.786  0.424  1.0
  O  O29  1  0.871  0.558  0.287  1.0
  O  O30  1  0.800  0.591  0.414  1.0
  O  O31  1  0.158  0.551  0.908  1.0
  O  O32  1  0.210  0.939  0.908  1.0
  O  O33  1  0.469  0.357  0.810  1.0
  O  O34  1  0.504  0.721  0.809  1.0
  O  O35  1  0.743  0.141  0.731  1.0
  O  O36  1  0.523  0.905  0.890  1.0
  O  O37  1  0.988  0.019  0.582  1.0
  O  O38  1  0.864  0.505  0.741  1.0
  O  O39  1  0.833  0.681  0.809  1.0
[/CIF]
.
The material described by Li3Fe2(PO4)3 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one P(1), one O(1), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Fe(1), one P(2), one O(16), and one O(5) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one P(2) and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one Fe(1), one P(4), one O(11), one O(16), and one O(19) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one Fe(4), one P(5), one O(20), and one O(9) atom. In the sixth Li site, Li(6) is bonded in a distorted single-bond geometry to one P(6), one O(17), one O(24), and one O(8) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one O(16), and one O(7) atom. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one P(1) and one O(10) atom. In the third Fe site, Fe(3) is bonded in a 1-coordinate geometry to one P(6) and one O(15) atom. In the fourth Fe site, Fe(4) is bonded in a 3-coordinate geometry to one Li(5), one P(3), one O(18), and one O(9) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to one Li(1), one Fe(2), one O(1), one O(2), and one O(8) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one O(4), and one O(5) atom. In the third P site, P(3) is bonded in a 6-coordinate geometry to one Fe(4), one O(13), one O(14), one O(15), one O(3), and one O(7) atom. In the fourth P site, P(4) is bonded in a 2-coordinate geometry to one Li(4), one O(12), one O(18), and one O(22) atom. In the fifth P site, P(5) is bonded in a 3-coordinate geometry to one Li(5), one O(20), and one O(21) atom. In the sixth P site, P(6) is bonded in a 5-coordinate geometry to one Li(6), one Fe(3), one O(17), one O(23), and one O(24) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one P(3) and one O(22) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one P(2) and one O(6) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one O(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Fe(1), one P(3), and one O(13) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(6), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(5), one Fe(4), and one O(14) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Fe(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Li(4) and one O(16) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one P(4) and one O(18) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one P(3) and one O(7) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one P(3), one O(15), and one O(9) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Fe(3), one P(3), and one O(14) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Fe(1), and one O(11) atom. In the seventeenth O site, O(17) is bonded in a 2-coordinate geometry to one Li(6) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Fe(4), one P(4), and one O(12) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Li(4) and one O(21) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Li(5) and one P(5) atom. In the twenty-first O site, O(21) is bonded in a 1-coordinate geometry to one P(5) and one O(19) atom. In the twenty-second O site, O(22) is bonded in a water-like geometry to one P(4) and one O(3) atom. In the twenty-third O site, O(23) is bonded in a single-bond geometry to one P(6) atom. In the twenty-fourth O site, O(24) is bonded in an L-shaped geometry to one Li(6) and one P(6) atom. is represented by the CIF file [CIF]
data_Li3Fe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.391
_cell_length_b   8.413
_cell_length_c   9.050
_cell_angle_alpha   117.683
_cell_angle_beta   90.025
_cell_angle_gamma   119.879
_symmetry_Int_Tables_number   1
_cell_volume   467.635
_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  0.081  0.123  0.148  1.0
  Li  Li1  1  0.329  0.780  0.142  1.0
  Li  Li2  1  0.745  0.177  0.380  1.0
  Li  Li3  1  0.267  0.461  0.864  1.0
  Li  Li4  1  0.671  0.205  0.865  1.0
  Li  Li5  1  0.922  0.870  0.863  1.0
  Fe  Fe6  1  0.357  0.609  0.047  1.0
  Fe  Fe7  1  0.150  0.412  0.441  1.0
  Fe  Fe8  1  0.857  0.586  0.561  1.0
  Fe  Fe9  1  0.653  0.394  0.956  1.0
  P  P10  1  0.039  0.300  0.244  1.0
  P  P11  1  0.458  0.998  0.254  1.0
  P  P12  1  0.751  0.705  0.251  1.0
  P  P13  1  0.253  0.288  0.753  1.0
  P  P14  1  0.538  0.998  0.749  1.0
  P  P15  1  0.960  0.693  0.758  1.0
  O  O16  1  0.173  0.315  0.196  1.0
  O  O17  1  0.133  0.490  0.261  1.0
  O  O18  1  0.998  0.980  0.414  1.0
  O  O19  1  0.462  0.108  0.102  1.0
  O  O20  1  0.252  0.853  0.271  1.0
  O  O21  1  0.493  0.264  0.203  1.0
  O  O22  1  0.533  0.638  0.196  1.0
  O  O23  1  0.795  0.053  0.095  1.0
  O  O24  1  0.847  0.446  0.089  1.0
  O  O25  1  0.198  0.411  0.586  1.0
  O  O26  1  0.127  0.410  0.731  1.0
  O  O27  1  0.385  0.221  0.575  1.0
  O  O28  1  0.617  0.786  0.424  1.0
  O  O29  1  0.871  0.558  0.287  1.0
  O  O30  1  0.800  0.591  0.414  1.0
  O  O31  1  0.158  0.551  0.908  1.0
  O  O32  1  0.210  0.939  0.908  1.0
  O  O33  1  0.469  0.357  0.810  1.0
  O  O34  1  0.504  0.721  0.809  1.0
  O  O35  1  0.743  0.141  0.731  1.0
  O  O36  1  0.523  0.905  0.890  1.0
  O  O37  1  0.988  0.019  0.582  1.0
  O  O38  1  0.864  0.505  0.741  1.0
  O  O39  1  0.833  0.681  0.809  1.0
[/CIF]
.