The structure described by Li2Fe3(SiO4)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(17), one O(18), and one O(3) atom. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(17), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Fe(5)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra, and corners with two equivalent Si(5)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(16), one O(21), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(11), one O(19), one O(3), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(8)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(6)O6 octahedra. In the fifth Li site, Li(5) is bonded to one O(16), one O(21), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 82°. In the sixth Li site, Li(6) is bonded to one O(13), one O(19), one O(22), one O(24), one O(5), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O4 tetrahedra,  an edgeedge with one Fe(3)O4 tetrahedra, and  an edgeedge with one Fe(6)O4 tetrahedra. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(15), one O(19), one O(24), and one O(5) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles are 82°. In the second Fe site, Fe(2) is bonded to one O(16), one O(2), one O(6), and one O(8) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, and corners with two equivalent Si(5)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(13), one O(14), one O(22), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra, corners with two equivalent Si(6)O4 tetrahedra, and  an edgeedge with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles are 84°. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(14), one O(23), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra, and corners with two equivalent Si(6)O4 tetrahedra. In the fifth Fe site, Fe(5) is bonded to one O(15), one O(17), one O(18), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the sixth Fe site, Fe(6) is bonded to one O(13), one O(18), one O(20), and one O(22) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(6)O6 octahedra. In the seventh Fe site, Fe(7) is bonded to one O(12), one O(20), one O(23), and one O(24) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 80°. In the eighth Fe site, Fe(8) is bonded to one O(11), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. In the ninth Fe site, Fe(9) is bonded to one O(1), one O(10), one O(21), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(13), one O(18), one O(19), and one O(3) atom to form SiO4 tetrahedra that share corners with two equivalent Li(6)O6 octahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and corners with two equivalent Fe(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second Si site, Si(2) is bonded to one O(15), one O(20), one O(5), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the third Si site, Si(3) is bonded to one O(12), one O(24), one O(6), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Li(6)O6 octahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, and corners with two equivalent Fe(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the fourth Si site, Si(4) is bonded to one O(10), one O(11), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Fe(8)O4 tetrahedra, and corners with two equivalent Fe(9)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(1), one O(16), one O(17), and one O(2) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(14), one O(21), one O(22), and one O(23) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Fe(9), and one Si(5) atom to form a mixture of distorted corner and edge-sharing OLi2FeSi trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(8), and one Si(5) atom. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Fe(8), and one Si(1) atom to form OLi2FeSi tetrahedra that share  a cornercorner with one O(17)Li2FeSi tetrahedra, corners with two equivalent O(18)LiFe2Si tetrahedra, and corners with two equivalent O(19)Li2FeSi trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(8), one Fe(9), and one Si(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(4), one Li(6), one Fe(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one Fe(2), and one Si(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Fe(5), and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Si(4) atom. In the ninth O site, O(9) is bonded to one Li(5), one Li(6), one Fe(3), and one Si(3) atom to form distorted OLi2FeSi tetrahedra that share  a cornercorner with one O(16)Li2FeSi tetrahedra,  a cornercorner with one O(21)Li2FeSi tetrahedra, corners with two equivalent O(22)LiFe2Si tetrahedra, corners with two equivalent O(24)LiFe2Si tetrahedra, and  a cornercorner with one O(19)Li2FeSi trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Fe(9), and one Si(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeSi tetrahedra. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(8), and one Si(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(4), one Fe(7), and one Si(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(6), one Fe(3), one Fe(6), and one Si(1) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Si(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(5), and one Si(2) atom. In the sixteenth O site, O(16) is bonded to one Li(3), one Li(5), one Fe(2), and one Si(5) atom to form distorted corner-sharing OLi2FeSi tetrahedra. In the seventeenth O site, O(17) is bonded to one Li(1), one Li(2), one Fe(5), and one Si(5) atom to form distorted OLi2FeSi tetrahedra that share  a cornercorner with one O(10)Li2FeSi tetrahedra,  a cornercorner with one O(16)Li2FeSi tetrahedra,  a cornercorner with one O(3)Li2FeSi tetrahedra, corners with two equivalent O(1)Li2FeSi trigonal pyramids, and  an edgeedge with one O(18)LiFe2Si tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(1), one Fe(5), one Fe(6), and one Si(1) atom to form distorted OLiFe2Si tetrahedra that share  a cornercorner with one O(22)LiFe2Si tetrahedra, corners with two equivalent O(3)Li2FeSi tetrahedra,  a cornercorner with one O(19)Li2FeSi trigonal pyramid, and  an edgeedge with one O(17)Li2FeSi tetrahedra. In the nineteenth O site, O(19) is bonded to one Li(4), one Li(6), one Fe(1), and one Si(1) atom to form distorted OLi2FeSi trigonal pyramids that share  a cornercorner with one O(9)Li2FeSi tetrahedra,  a cornercorner with one O(18)LiFe2Si tetrahedra,  a cornercorner with one O(22)LiFe2Si tetrahedra, corners with two equivalent O(3)Li2FeSi tetrahedra, and  an edgeedge with one O(24)LiFe2Si tetrahedra. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Fe(6), one Fe(7), and one Si(2) atom. In the twenty-first O site, O(21) is bonded to one Li(3), one Li(5), one Fe(9), and one Si(6) atom to form distorted OLi2FeSi tetrahedra that share  a cornercorner with one O(9)Li2FeSi tetrahedra,  a cornercorner with one O(22)LiFe2Si tetrahedra, corners with two equivalent O(10)Li2FeSi tetrahedra, corners with two equivalent O(16)Li2FeSi tetrahedra, and  an edgeedge with one O(1)Li2FeSi trigonal pyramid. In the twenty-second O site, O(22) is bonded to one Li(6), one Fe(3), one Fe(6), and one Si(6) atom to form distorted OLiFe2Si tetrahedra that share  a cornercorner with one O(21)Li2FeSi tetrahedra,  a cornercorner with one O(18)LiFe2Si tetrahedra,  a cornercorner with one O(24)LiFe2Si tetrahedra, corners with two equivalent O(9)Li2FeSi tetrahedra, and  a cornercorner with one O(19)Li2FeSi trigonal pyramid. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Fe(4), one Fe(7), and one Si(6) atom. In the twenty-fourth O site, O(24) is bonded to one Li(6), one Fe(1), one Fe(7), and one Si(3) atom to form distorted OLiFe2Si tetrahedra that share  a cornercorner with one O(22)LiFe2Si tetrahedra, corners with two equivalent O(9)Li2FeSi tetrahedra, and  an edgeedge with one O(19)Li2FeSi trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe3(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.063
_cell_length_b   8.943
_cell_length_c   13.448
_cell_angle_alpha   108.484
_cell_angle_beta   99.320
_cell_angle_gamma   90.961
_symmetry_Int_Tables_number   1
_cell_volume   568.378
_cell_formula_units_Z   3
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  0.456  0.362  0.778  1.0
  Li  Li1  1  0.386  0.624  0.686  1.0
  Li  Li2  1  0.257  0.522  0.469  1.0
  Li  Li3  1  0.481  0.096  0.856  1.0
  Li  Li4  1  0.732  0.347  0.358  1.0
  Li  Li5  1  0.627  0.230  0.099  1.0
  Fe  Fe6  1  0.012  0.014  0.995  1.0
  Fe  Fe7  1  0.275  0.210  0.494  1.0
  Fe  Fe8  1  0.201  0.450  0.187  1.0
  Fe  Fe9  1  0.288  0.864  0.346  1.0
  Fe  Fe10  1  0.930  0.599  0.833  1.0
  Fe  Fe11  1  0.595  0.534  0.036  1.0
  Fe  Fe12  1  0.691  0.927  0.190  1.0
  Fe  Fe13  1  0.923  0.126  0.691  1.0
  Fe  Fe14  1  0.850  0.712  0.540  1.0
  Si  Si15  1  0.027  0.320  0.934  1.0
  Si  Si16  1  0.493  0.802  0.935  1.0
  Si  Si17  1  0.198  0.154  0.251  1.0
  Si  Si18  1  0.379  0.925  0.602  1.0
  Si  Si19  1  0.825  0.405  0.594  1.0
  Si  Si20  1  0.757  0.638  0.286  1.0
  O  O21  1  0.044  0.540  0.589  1.0
  O  O22  1  0.007  0.254  0.598  1.0
  O  O23  1  0.174  0.250  0.830  1.0
  O  O24  1  0.071  0.912  0.626  1.0
  O  O25  1  0.378  0.979  0.958  1.0
  O  O26  1  0.071  0.240  0.358  1.0
  O  O27  1  0.313  0.657  0.838  1.0
  O  O28  1  0.379  0.991  0.499  1.0
  O  O29  1  0.400  0.277  0.222  1.0
  O  O30  1  0.476  0.743  0.572  1.0
  O  O31  1  0.559  0.058  0.707  1.0
  O  O32  1  0.383  0.009  0.264  1.0
  O  O33  1  0.280  0.391  0.035  1.0
  O  O34  1  0.430  0.650  0.280  1.0
  O  O35  1  0.788  0.814  0.900  1.0
  O  O36  1  0.580  0.361  0.490  1.0
  O  O37  1  0.679  0.464  0.700  1.0
  O  O38  1  0.822  0.458  0.918  1.0
  O  O39  1  0.831  0.195  0.961  1.0
  O  O40  1  0.531  0.758  0.048  1.0
  O  O41  1  0.892  0.583  0.387  1.0
  O  O42  1  0.809  0.500  0.174  1.0
  O  O43  1  0.881  0.812  0.289  1.0
  O  O44  1  0.936  0.082  0.151  1.0
[/CIF]
.
The structure described by Li2Fe3(SiO4)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(17), one O(18), and one O(3) atom. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(17), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Fe(5)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra, and corners with two equivalent Si(5)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(16), one O(21), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(11), one O(19), one O(3), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(8)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(6)O6 octahedra. In the fifth Li site, Li(5) is bonded to one O(16), one O(21), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 82°. In the sixth Li site, Li(6) is bonded to one O(13), one O(19), one O(22), one O(24), one O(5), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O4 tetrahedra,  an edgeedge with one Fe(3)O4 tetrahedra, and  an edgeedge with one Fe(6)O4 tetrahedra. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(15), one O(19), one O(24), and one O(5) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles are 82°. In the second Fe site, Fe(2) is bonded to one O(16), one O(2), one O(6), and one O(8) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, and corners with two equivalent Si(5)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(13), one O(14), one O(22), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra, corners with two equivalent Si(6)O4 tetrahedra, and  an edgeedge with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles are 84°. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(14), one O(23), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra, and corners with two equivalent Si(6)O4 tetrahedra. In the fifth Fe site, Fe(5) is bonded to one O(15), one O(17), one O(18), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the sixth Fe site, Fe(6) is bonded to one O(13), one O(18), one O(20), and one O(22) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(6)O6 octahedra. In the seventh Fe site, Fe(7) is bonded to one O(12), one O(20), one O(23), and one O(24) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 80°. In the eighth Fe site, Fe(8) is bonded to one O(11), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. In the ninth Fe site, Fe(9) is bonded to one O(1), one O(10), one O(21), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(13), one O(18), one O(19), and one O(3) atom to form SiO4 tetrahedra that share corners with two equivalent Li(6)O6 octahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and corners with two equivalent Fe(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second Si site, Si(2) is bonded to one O(15), one O(20), one O(5), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the third Si site, Si(3) is bonded to one O(12), one O(24), one O(6), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Li(6)O6 octahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, and corners with two equivalent Fe(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the fourth Si site, Si(4) is bonded to one O(10), one O(11), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Fe(8)O4 tetrahedra, and corners with two equivalent Fe(9)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(1), one O(16), one O(17), and one O(2) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(14), one O(21), one O(22), and one O(23) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Fe(9), and one Si(5) atom to form a mixture of distorted corner and edge-sharing OLi2FeSi trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(8), and one Si(5) atom. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Fe(8), and one Si(1) atom to form OLi2FeSi tetrahedra that share  a cornercorner with one O(17)Li2FeSi tetrahedra, corners with two equivalent O(18)LiFe2Si tetrahedra, and corners with two equivalent O(19)Li2FeSi trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(8), one Fe(9), and one Si(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(4), one Li(6), one Fe(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one Fe(2), and one Si(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Fe(5), and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Si(4) atom. In the ninth O site, O(9) is bonded to one Li(5), one Li(6), one Fe(3), and one Si(3) atom to form distorted OLi2FeSi tetrahedra that share  a cornercorner with one O(16)Li2FeSi tetrahedra,  a cornercorner with one O(21)Li2FeSi tetrahedra, corners with two equivalent O(22)LiFe2Si tetrahedra, corners with two equivalent O(24)LiFe2Si tetrahedra, and  a cornercorner with one O(19)Li2FeSi trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Fe(9), and one Si(4) atom to form a mixture of distorted corner and edge-sharing OLi2FeSi tetrahedra. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(8), and one Si(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(4), one Fe(7), and one Si(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(6), one Fe(3), one Fe(6), and one Si(1) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Si(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Fe(5), and one Si(2) atom. In the sixteenth O site, O(16) is bonded to one Li(3), one Li(5), one Fe(2), and one Si(5) atom to form distorted corner-sharing OLi2FeSi tetrahedra. In the seventeenth O site, O(17) is bonded to one Li(1), one Li(2), one Fe(5), and one Si(5) atom to form distorted OLi2FeSi tetrahedra that share  a cornercorner with one O(10)Li2FeSi tetrahedra,  a cornercorner with one O(16)Li2FeSi tetrahedra,  a cornercorner with one O(3)Li2FeSi tetrahedra, corners with two equivalent O(1)Li2FeSi trigonal pyramids, and  an edgeedge with one O(18)LiFe2Si tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(1), one Fe(5), one Fe(6), and one Si(1) atom to form distorted OLiFe2Si tetrahedra that share  a cornercorner with one O(22)LiFe2Si tetrahedra, corners with two equivalent O(3)Li2FeSi tetrahedra,  a cornercorner with one O(19)Li2FeSi trigonal pyramid, and  an edgeedge with one O(17)Li2FeSi tetrahedra. In the nineteenth O site, O(19) is bonded to one Li(4), one Li(6), one Fe(1), and one Si(1) atom to form distorted OLi2FeSi trigonal pyramids that share  a cornercorner with one O(9)Li2FeSi tetrahedra,  a cornercorner with one O(18)LiFe2Si tetrahedra,  a cornercorner with one O(22)LiFe2Si tetrahedra, corners with two equivalent O(3)Li2FeSi tetrahedra, and  an edgeedge with one O(24)LiFe2Si tetrahedra. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Fe(6), one Fe(7), and one Si(2) atom. In the twenty-first O site, O(21) is bonded to one Li(3), one Li(5), one Fe(9), and one Si(6) atom to form distorted OLi2FeSi tetrahedra that share  a cornercorner with one O(9)Li2FeSi tetrahedra,  a cornercorner with one O(22)LiFe2Si tetrahedra, corners with two equivalent O(10)Li2FeSi tetrahedra, corners with two equivalent O(16)Li2FeSi tetrahedra, and  an edgeedge with one O(1)Li2FeSi trigonal pyramid. In the twenty-second O site, O(22) is bonded to one Li(6), one Fe(3), one Fe(6), and one Si(6) atom to form distorted OLiFe2Si tetrahedra that share  a cornercorner with one O(21)Li2FeSi tetrahedra,  a cornercorner with one O(18)LiFe2Si tetrahedra,  a cornercorner with one O(24)LiFe2Si tetrahedra, corners with two equivalent O(9)Li2FeSi tetrahedra, and  a cornercorner with one O(19)Li2FeSi trigonal pyramid. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Fe(4), one Fe(7), and one Si(6) atom. In the twenty-fourth O site, O(24) is bonded to one Li(6), one Fe(1), one Fe(7), and one Si(3) atom to form distorted OLiFe2Si tetrahedra that share  a cornercorner with one O(22)LiFe2Si tetrahedra, corners with two equivalent O(9)Li2FeSi tetrahedra, and  an edgeedge with one O(19)Li2FeSi trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe3(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.063
_cell_length_b   8.943
_cell_length_c   13.448
_cell_angle_alpha   108.484
_cell_angle_beta   99.320
_cell_angle_gamma   90.961
_symmetry_Int_Tables_number   1
_cell_volume   568.378
_cell_formula_units_Z   3
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  0.456  0.362  0.778  1.0
  Li  Li1  1  0.386  0.624  0.686  1.0
  Li  Li2  1  0.257  0.522  0.469  1.0
  Li  Li3  1  0.481  0.096  0.856  1.0
  Li  Li4  1  0.732  0.347  0.358  1.0
  Li  Li5  1  0.627  0.230  0.099  1.0
  Fe  Fe6  1  0.012  0.014  0.995  1.0
  Fe  Fe7  1  0.275  0.210  0.494  1.0
  Fe  Fe8  1  0.201  0.450  0.187  1.0
  Fe  Fe9  1  0.288  0.864  0.346  1.0
  Fe  Fe10  1  0.930  0.599  0.833  1.0
  Fe  Fe11  1  0.595  0.534  0.036  1.0
  Fe  Fe12  1  0.691  0.927  0.190  1.0
  Fe  Fe13  1  0.923  0.126  0.691  1.0
  Fe  Fe14  1  0.850  0.712  0.540  1.0
  Si  Si15  1  0.027  0.320  0.934  1.0
  Si  Si16  1  0.493  0.802  0.935  1.0
  Si  Si17  1  0.198  0.154  0.251  1.0
  Si  Si18  1  0.379  0.925  0.602  1.0
  Si  Si19  1  0.825  0.405  0.594  1.0
  Si  Si20  1  0.757  0.638  0.286  1.0
  O  O21  1  0.044  0.540  0.589  1.0
  O  O22  1  0.007  0.254  0.598  1.0
  O  O23  1  0.174  0.250  0.830  1.0
  O  O24  1  0.071  0.912  0.626  1.0
  O  O25  1  0.378  0.979  0.958  1.0
  O  O26  1  0.071  0.240  0.358  1.0
  O  O27  1  0.313  0.657  0.838  1.0
  O  O28  1  0.379  0.991  0.499  1.0
  O  O29  1  0.400  0.277  0.222  1.0
  O  O30  1  0.476  0.743  0.572  1.0
  O  O31  1  0.559  0.058  0.707  1.0
  O  O32  1  0.383  0.009  0.264  1.0
  O  O33  1  0.280  0.391  0.035  1.0
  O  O34  1  0.430  0.650  0.280  1.0
  O  O35  1  0.788  0.814  0.900  1.0
  O  O36  1  0.580  0.361  0.490  1.0
  O  O37  1  0.679  0.464  0.700  1.0
  O  O38  1  0.822  0.458  0.918  1.0
  O  O39  1  0.831  0.195  0.961  1.0
  O  O40  1  0.531  0.758  0.048  1.0
  O  O41  1  0.892  0.583  0.387  1.0
  O  O42  1  0.809  0.500  0.174  1.0
  O  O43  1  0.881  0.812  0.289  1.0
  O  O44  1  0.936  0.082  0.151  1.0
[/CIF]
.