The material structure described by LiFe3(SiO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(16), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded to one O(12), one O(18), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids 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(9)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(14), one O(15), one O(21), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(3)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 Fe(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(17), one O(18), one O(24), and one O(6) 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(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. In the second Fe site, Fe(2) is bonded to one O(1), one O(15), one O(5), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with two equivalent Si(5)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(10), one O(13), one O(14), and one O(22) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(3)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, and corners with two equivalent Si(6)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(13), 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(16), one O(17), one O(19), 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, and corners with two equivalent Si(2)O4 tetrahedra. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(19), 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, and corners with two equivalent Si(1)O4 tetrahedra. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(20), one O(23), and one O(24) atom to form distorted 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(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. In the eighth Fe site, Fe(8) is bonded to one O(2), one O(21), one O(3), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(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, and corners with two equivalent Si(4)O4 tetrahedra. In the ninth Fe site, Fe(9) is bonded to one O(1), one O(12), one O(2), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(10), one O(18), one O(19), and one O(4) atom to form SiO4 tetrahedra that share  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(9)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. In the second Si site, Si(2) is bonded to one O(17), one O(20), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(5)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the third Si site, Si(3) is bonded to one O(11), one O(14), one O(24), and one O(5) atom to form SiO4 tetrahedra that share  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(3)O4 tetrahedra, and corners with two equivalent Fe(7)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(12), one O(2), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Fe(8)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the fifth Si site, Si(5) is bonded to one O(1), one O(15), one O(16), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(3)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, and corners with two equivalent Fe(2)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(13), one O(21), one O(22), and one O(23) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(9), and one Si(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(8), one Fe(9), and one Si(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(8), and one Si(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Fe(9), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(2), and one Si(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), 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 in a bent 120 degrees geometry to one Fe(8) and one Si(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(6), and one Si(1) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(4), one Fe(7), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(2), one Fe(9), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Si(6) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(3), one Fe(3), and one Si(3) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(3), one Fe(2), and one Si(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal non-coplanar geometry to one Li(1), one Fe(5), and one Si(5) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Fe(1), one Fe(5), and one Si(2) atom. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one Si(1) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Fe(5), one Fe(6), and one Si(1) atom. 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 in a distorted trigonal non-coplanar geometry to one Li(3), one Fe(8), and one Si(6) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(6), and one Si(6) atom. 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 in a distorted trigonal planar geometry to one Fe(1), one Fe(7), and one Si(3) atom. is represented by the CIF card [CIF]
data_LiFe3(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   8.896
_cell_length_c   13.516
_cell_angle_alpha   108.301
_cell_angle_beta   100.463
_cell_angle_gamma   90.044
_symmetry_Int_Tables_number   1
_cell_volume   570.329
_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  0.628  0.901  0.308  1.0
  Li  Li1  1  0.510  0.262  0.140  1.0
  Li  Li2  1  0.291  0.983  0.644  1.0
  Fe  Fe3  1  0.003  0.020  0.004  1.0
  Fe  Fe4  1  0.740  0.731  0.513  1.0
  Fe  Fe5  1  0.786  0.264  0.817  1.0
  Fe  Fe6  1  0.712  0.524  0.657  1.0
  Fe  Fe7  1  0.077  0.761  0.162  1.0
  Fe  Fe8  1  0.392  0.490  0.960  1.0
  Fe  Fe9  1  0.302  0.740  0.807  1.0
  Fe  Fe10  1  0.128  0.162  0.462  1.0
  Fe  Fe11  1  0.058  0.436  0.313  1.0
  Si  Si12  1  0.968  0.386  0.066  1.0
  Si  Si13  1  0.527  0.867  0.062  1.0
  Si  Si14  1  0.804  0.893  0.748  1.0
  Si  Si15  1  0.593  0.334  0.403  1.0
  Si  Si16  1  0.186  0.806  0.403  1.0
  Si  Si17  1  0.246  0.366  0.716  1.0
  O  O18  1  0.997  0.647  0.398  1.0
  O  O19  1  0.904  0.293  0.381  1.0
  O  O20  1  0.977  0.951  0.407  1.0
  O  O21  1  0.855  0.403  0.177  1.0
  O  O22  1  0.978  0.851  0.653  1.0
  O  O23  1  0.663  0.021  0.042  1.0
  O  O24  1  0.705  0.829  0.163  1.0
  O  O25  1  0.618  0.499  0.502  1.0
  O  O26  1  0.467  0.182  0.427  1.0
  O  O27  1  0.710  0.358  0.970  1.0
  O  O28  1  0.596  0.742  0.730  1.0
  O  O29  1  0.405  0.361  0.298  1.0
  O  O30  1  0.573  0.398  0.738  1.0
  O  O31  1  0.630  0.047  0.758  1.0
  O  O32  1  0.414  0.853  0.510  1.0
  O  O33  1  0.316  0.770  0.298  1.0
  O  O34  1  0.227  0.919  0.091  1.0
  O  O35  1  0.153  0.231  0.046  1.0
  O  O36  1  0.159  0.539  0.074  1.0
  O  O37  1  0.474  0.712  0.953  1.0
  O  O38  1  0.144  0.213  0.608  1.0
  O  O39  1  0.170  0.331  0.820  1.0
  O  O40  1  0.113  0.528  0.702  1.0
  O  O41  1  0.029  0.909  0.859  1.0
[/CIF]
.
The material structure described by LiFe3(SiO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(16), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded to one O(12), one O(18), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids 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(9)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(14), one O(15), one O(21), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(3)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 Fe(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(17), one O(18), one O(24), and one O(6) 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(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. In the second Fe site, Fe(2) is bonded to one O(1), one O(15), one O(5), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with two equivalent Si(5)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(10), one O(13), one O(14), and one O(22) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(3)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, and corners with two equivalent Si(6)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(13), 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(16), one O(17), one O(19), 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, and corners with two equivalent Si(2)O4 tetrahedra. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(19), 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, and corners with two equivalent Si(1)O4 tetrahedra. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(20), one O(23), and one O(24) atom to form distorted 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(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. In the eighth Fe site, Fe(8) is bonded to one O(2), one O(21), one O(3), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(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, and corners with two equivalent Si(4)O4 tetrahedra. In the ninth Fe site, Fe(9) is bonded to one O(1), one O(12), one O(2), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(10), one O(18), one O(19), and one O(4) atom to form SiO4 tetrahedra that share  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(9)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. In the second Si site, Si(2) is bonded to one O(17), one O(20), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(5)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the third Si site, Si(3) is bonded to one O(11), one O(14), one O(24), and one O(5) atom to form SiO4 tetrahedra that share  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(3)O4 tetrahedra, and corners with two equivalent Fe(7)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(12), one O(2), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Fe(8)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the fifth Si site, Si(5) is bonded to one O(1), one O(15), one O(16), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(3)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, and corners with two equivalent Fe(2)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(13), one O(21), one O(22), and one O(23) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(9), and one Si(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(8), one Fe(9), and one Si(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(8), and one Si(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Fe(9), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(2), and one Si(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), 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 in a bent 120 degrees geometry to one Fe(8) and one Si(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(6), and one Si(1) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(4), one Fe(7), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(2), one Fe(9), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Si(6) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(3), one Fe(3), and one Si(3) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(3), one Fe(2), and one Si(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal non-coplanar geometry to one Li(1), one Fe(5), and one Si(5) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Fe(1), one Fe(5), and one Si(2) atom. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one Si(1) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Fe(5), one Fe(6), and one Si(1) atom. 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 in a distorted trigonal non-coplanar geometry to one Li(3), one Fe(8), and one Si(6) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(6), and one Si(6) atom. 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 in a distorted trigonal planar geometry to one Fe(1), one Fe(7), and one Si(3) atom. is represented by the CIF card [CIF]
data_LiFe3(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   8.896
_cell_length_c   13.516
_cell_angle_alpha   108.301
_cell_angle_beta   100.463
_cell_angle_gamma   90.044
_symmetry_Int_Tables_number   1
_cell_volume   570.329
_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  0.628  0.901  0.308  1.0
  Li  Li1  1  0.510  0.262  0.140  1.0
  Li  Li2  1  0.291  0.983  0.644  1.0
  Fe  Fe3  1  0.003  0.020  0.004  1.0
  Fe  Fe4  1  0.740  0.731  0.513  1.0
  Fe  Fe5  1  0.786  0.264  0.817  1.0
  Fe  Fe6  1  0.712  0.524  0.657  1.0
  Fe  Fe7  1  0.077  0.761  0.162  1.0
  Fe  Fe8  1  0.392  0.490  0.960  1.0
  Fe  Fe9  1  0.302  0.740  0.807  1.0
  Fe  Fe10  1  0.128  0.162  0.462  1.0
  Fe  Fe11  1  0.058  0.436  0.313  1.0
  Si  Si12  1  0.968  0.386  0.066  1.0
  Si  Si13  1  0.527  0.867  0.062  1.0
  Si  Si14  1  0.804  0.893  0.748  1.0
  Si  Si15  1  0.593  0.334  0.403  1.0
  Si  Si16  1  0.186  0.806  0.403  1.0
  Si  Si17  1  0.246  0.366  0.716  1.0
  O  O18  1  0.997  0.647  0.398  1.0
  O  O19  1  0.904  0.293  0.381  1.0
  O  O20  1  0.977  0.951  0.407  1.0
  O  O21  1  0.855  0.403  0.177  1.0
  O  O22  1  0.978  0.851  0.653  1.0
  O  O23  1  0.663  0.021  0.042  1.0
  O  O24  1  0.705  0.829  0.163  1.0
  O  O25  1  0.618  0.499  0.502  1.0
  O  O26  1  0.467  0.182  0.427  1.0
  O  O27  1  0.710  0.358  0.970  1.0
  O  O28  1  0.596  0.742  0.730  1.0
  O  O29  1  0.405  0.361  0.298  1.0
  O  O30  1  0.573  0.398  0.738  1.0
  O  O31  1  0.630  0.047  0.758  1.0
  O  O32  1  0.414  0.853  0.510  1.0
  O  O33  1  0.316  0.770  0.298  1.0
  O  O34  1  0.227  0.919  0.091  1.0
  O  O35  1  0.153  0.231  0.046  1.0
  O  O36  1  0.159  0.539  0.074  1.0
  O  O37  1  0.474  0.712  0.953  1.0
  O  O38  1  0.144  0.213  0.608  1.0
  O  O39  1  0.170  0.331  0.820  1.0
  O  O40  1  0.113  0.528  0.702  1.0
  O  O41  1  0.029  0.909  0.859  1.0
[/CIF]
.