The material described by Li4Fe2(PO4)3 is Esseneite-like structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-69°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-70°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(3), and one O(8) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-67°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(11), one O(12), one O(6), and one O(8) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 28-52°. In the second P site, P(2) is bonded to one O(1), one O(12), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and corners with two equivalent Li(3)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 26-50°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(2), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 20-56°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Fe(1), and one P(2) atom to form distorted corner-sharing OLi2FeP tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Fe(1), and one P(3) atom to form distorted corner-sharing OLi2FeP tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Fe(1), and one P(1) atom to form distorted corner-sharing OLi2FeP tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(4), one Fe(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Fe(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Fe(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one Fe(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li4Fe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.393
_cell_length_b   8.409
_cell_length_c   9.213
_cell_angle_alpha   62.897
_cell_angle_beta   63.057
_cell_angle_gamma   60.710
_symmetry_Int_Tables_number   1
_cell_volume   482.130
_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  0.919  0.662  0.143  1.0
  Li  Li1  1  0.668  0.273  0.138  1.0
  Li  Li2  1  0.274  0.934  0.102  1.0
  Li  Li3  1  0.737  0.216  0.586  1.0
  Li  Li4  1  0.263  0.784  0.414  1.0
  Li  Li5  1  0.726  0.066  0.898  1.0
  Li  Li6  1  0.332  0.727  0.862  1.0
  Li  Li7  1  0.081  0.338  0.857  1.0
  Fe  Fe8  1  0.654  0.646  0.039  1.0
  Fe  Fe9  1  0.149  0.152  0.558  1.0
  Fe  Fe10  1  0.851  0.848  0.442  1.0
  Fe  Fe11  1  0.346  0.354  0.961  1.0
  P  P12  1  0.962  0.243  0.243  1.0
  P  P13  1  0.537  0.956  0.256  1.0
  P  P14  1  0.250  0.544  0.251  1.0
  P  P15  1  0.750  0.456  0.749  1.0
  P  P16  1  0.463  0.044  0.744  1.0
  P  P17  1  0.038  0.757  0.757  1.0
  O  O18  1  0.547  0.144  0.106  1.0
  O  O19  1  0.197  0.566  0.099  1.0
  O  O20  1  0.151  0.200  0.096  1.0
  O  O21  1  0.838  0.457  0.195  1.0
  O  O22  1  0.856  0.118  0.270  1.0
  O  O23  1  0.995  0.188  0.415  1.0
  O  O24  1  0.741  0.846  0.279  1.0
  O  O25  1  0.488  0.834  0.208  1.0
  O  O26  1  0.464  0.500  0.200  1.0
  O  O27  1  0.813  0.608  0.587  1.0
  O  O28  1  0.860  0.256  0.714  1.0
  O  O29  1  0.618  0.009  0.578  1.0
  O  O30  1  0.382  0.991  0.422  1.0
  O  O31  1  0.140  0.744  0.286  1.0
  O  O32  1  0.187  0.392  0.413  1.0
  O  O33  1  0.536  0.500  0.800  1.0
  O  O34  1  0.512  0.166  0.792  1.0
  O  O35  1  0.259  0.154  0.721  1.0
  O  O36  1  0.005  0.812  0.585  1.0
  O  O37  1  0.144  0.882  0.730  1.0
  O  O38  1  0.162  0.543  0.805  1.0
  O  O39  1  0.849  0.800  0.904  1.0
  O  O40  1  0.803  0.434  0.901  1.0
  O  O41  1  0.453  0.856  0.894  1.0
[/CIF]
.
The material described by Li4Fe2(PO4)3 is Esseneite-like structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-69°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-70°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(3), and one O(8) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-67°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(11), one O(12), one O(6), and one O(8) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 28-52°. In the second P site, P(2) is bonded to one O(1), one O(12), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, and corners with two equivalent Li(3)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 26-50°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(2), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 20-56°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Fe(1), and one P(2) atom to form distorted corner-sharing OLi2FeP tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Fe(1), and one P(3) atom to form distorted corner-sharing OLi2FeP tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Fe(1), and one P(1) atom to form distorted corner-sharing OLi2FeP tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(4), one Fe(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Fe(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Fe(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one Fe(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li4Fe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.393
_cell_length_b   8.409
_cell_length_c   9.213
_cell_angle_alpha   62.897
_cell_angle_beta   63.057
_cell_angle_gamma   60.710
_symmetry_Int_Tables_number   1
_cell_volume   482.130
_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  0.919  0.662  0.143  1.0
  Li  Li1  1  0.668  0.273  0.138  1.0
  Li  Li2  1  0.274  0.934  0.102  1.0
  Li  Li3  1  0.737  0.216  0.586  1.0
  Li  Li4  1  0.263  0.784  0.414  1.0
  Li  Li5  1  0.726  0.066  0.898  1.0
  Li  Li6  1  0.332  0.727  0.862  1.0
  Li  Li7  1  0.081  0.338  0.857  1.0
  Fe  Fe8  1  0.654  0.646  0.039  1.0
  Fe  Fe9  1  0.149  0.152  0.558  1.0
  Fe  Fe10  1  0.851  0.848  0.442  1.0
  Fe  Fe11  1  0.346  0.354  0.961  1.0
  P  P12  1  0.962  0.243  0.243  1.0
  P  P13  1  0.537  0.956  0.256  1.0
  P  P14  1  0.250  0.544  0.251  1.0
  P  P15  1  0.750  0.456  0.749  1.0
  P  P16  1  0.463  0.044  0.744  1.0
  P  P17  1  0.038  0.757  0.757  1.0
  O  O18  1  0.547  0.144  0.106  1.0
  O  O19  1  0.197  0.566  0.099  1.0
  O  O20  1  0.151  0.200  0.096  1.0
  O  O21  1  0.838  0.457  0.195  1.0
  O  O22  1  0.856  0.118  0.270  1.0
  O  O23  1  0.995  0.188  0.415  1.0
  O  O24  1  0.741  0.846  0.279  1.0
  O  O25  1  0.488  0.834  0.208  1.0
  O  O26  1  0.464  0.500  0.200  1.0
  O  O27  1  0.813  0.608  0.587  1.0
  O  O28  1  0.860  0.256  0.714  1.0
  O  O29  1  0.618  0.009  0.578  1.0
  O  O30  1  0.382  0.991  0.422  1.0
  O  O31  1  0.140  0.744  0.286  1.0
  O  O32  1  0.187  0.392  0.413  1.0
  O  O33  1  0.536  0.500  0.800  1.0
  O  O34  1  0.512  0.166  0.792  1.0
  O  O35  1  0.259  0.154  0.721  1.0
  O  O36  1  0.005  0.812  0.585  1.0
  O  O37  1  0.144  0.882  0.730  1.0
  O  O38  1  0.162  0.543  0.805  1.0
  O  O39  1  0.849  0.800  0.904  1.0
  O  O40  1  0.803  0.434  0.901  1.0
  O  O41  1  0.453  0.856  0.894  1.0
[/CIF]
.