The structure described by Li4Fe3(SiO4)3 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), and two equivalent O(3) atoms to form LiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, and corners with four equivalent Fe(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, and corners with four equivalent Si(1)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form FeO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra and corners with six equivalent Li(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with four equivalent Li(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with four equivalent Li(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to two equivalent O(3) and two equivalent O(6) atoms to form SiO4 tetrahedra that share corners with four equivalent Fe(2)O4 tetrahedra and corners with six equivalent Li(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Fe(2), and one Si(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(2), one Fe(1), and one Si(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Fe(2), and one Si(2) atom to form corner-sharing OLi2FeSi tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Fe(1), and one Si(1) atom to form corner-sharing OLi2FeSi tetrahedra. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Li(2), one Fe(2), and one Si(1) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(1), one Fe(2), and one Si(2) atom. is represented by the CIF card [CIF]
data_Li4Fe3(SiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.328
_cell_length_b   11.913
_cell_length_c   5.457
_cell_angle_alpha   83.025
_cell_angle_beta   66.642
_cell_angle_gamma   79.532
_symmetry_Int_Tables_number   1
_cell_volume   253.612
_cell_formula_units_Z   1
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  0.330  0.420  0.918  1.0
  Li  Li1  1  0.002  0.246  0.749  1.0
  Li  Li2  1  0.331  0.918  0.423  1.0
  Li  Li3  1  0.005  0.749  0.244  1.0
  Fe  Fe4  1  0.671  0.833  0.833  1.0
  Fe  Fe5  1  0.002  0.503  0.489  1.0
  Fe  Fe6  1  0.327  0.164  0.177  1.0
  Si  Si7  1  0.333  0.667  0.664  1.0
  Si  Si8  1  0.670  0.333  0.333  1.0
  Si  Si9  1  0.997  0.000  0.003  1.0
  O  O10  1  0.193  0.114  0.916  1.0
  O  O11  1  0.556  0.553  0.751  1.0
  O  O12  1  0.980  0.711  0.916  1.0
  O  O13  1  0.302  0.371  0.585  1.0
  O  O14  1  0.941  0.956  0.751  1.0
  O  O15  1  0.561  0.775  0.558  1.0
  O  O16  1  0.232  0.633  0.422  1.0
  O  O17  1  0.227  0.892  0.109  1.0
  O  O18  1  0.897  0.227  0.441  1.0
  O  O19  1  0.620  0.034  0.245  1.0
  O  O20  1  0.898  0.440  0.226  1.0
  O  O21  1  0.591  0.295  0.082  1.0
[/CIF]
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The structure described by Li4Fe3(SiO4)3 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), and two equivalent O(3) atoms to form LiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, and corners with four equivalent Fe(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, and corners with four equivalent Si(1)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form FeO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra and corners with six equivalent Li(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with four equivalent Li(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with four equivalent Li(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to two equivalent O(3) and two equivalent O(6) atoms to form SiO4 tetrahedra that share corners with four equivalent Fe(2)O4 tetrahedra and corners with six equivalent Li(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Fe(2), and one Si(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(2), one Fe(1), and one Si(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Fe(2), and one Si(2) atom to form corner-sharing OLi2FeSi tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Fe(1), and one Si(1) atom to form corner-sharing OLi2FeSi tetrahedra. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Li(2), one Fe(2), and one Si(1) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(1), one Fe(2), and one Si(2) atom. is represented by the CIF card [CIF]
data_Li4Fe3(SiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.328
_cell_length_b   11.913
_cell_length_c   5.457
_cell_angle_alpha   83.025
_cell_angle_beta   66.642
_cell_angle_gamma   79.532
_symmetry_Int_Tables_number   1
_cell_volume   253.612
_cell_formula_units_Z   1
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  0.330  0.420  0.918  1.0
  Li  Li1  1  0.002  0.246  0.749  1.0
  Li  Li2  1  0.331  0.918  0.423  1.0
  Li  Li3  1  0.005  0.749  0.244  1.0
  Fe  Fe4  1  0.671  0.833  0.833  1.0
  Fe  Fe5  1  0.002  0.503  0.489  1.0
  Fe  Fe6  1  0.327  0.164  0.177  1.0
  Si  Si7  1  0.333  0.667  0.664  1.0
  Si  Si8  1  0.670  0.333  0.333  1.0
  Si  Si9  1  0.997  0.000  0.003  1.0
  O  O10  1  0.193  0.114  0.916  1.0
  O  O11  1  0.556  0.553  0.751  1.0
  O  O12  1  0.980  0.711  0.916  1.0
  O  O13  1  0.302  0.371  0.585  1.0
  O  O14  1  0.941  0.956  0.751  1.0
  O  O15  1  0.561  0.775  0.558  1.0
  O  O16  1  0.232  0.633  0.422  1.0
  O  O17  1  0.227  0.892  0.109  1.0
  O  O18  1  0.897  0.227  0.441  1.0
  O  O19  1  0.620  0.034  0.245  1.0
  O  O20  1  0.898  0.440  0.226  1.0
  O  O21  1  0.591  0.295  0.082  1.0
[/CIF]
.