The crystal structure described by Li3Fe2(SiO4)2 is Clathrate-derived structured and crystallizes in the monoclinic Pc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form distorted FeO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Fe(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(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), and one Si(1) atom to form OLi3Si tetrahedra that share corners with two equivalent O(6)Li2FeSi tetrahedra, corners with two equivalent O(7)Li2FeSi tetrahedra, and corners with two equivalent O(4)LiFe2Si trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(3), one Fe(1), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Li(2), one Fe(1), one Fe(2), and one Si(1) atom to form distorted OLiFe2Si trigonal pyramids that share corners with two equivalent O(6)Li2FeSi tetrahedra, corners with two equivalent O(7)Li2FeSi tetrahedra, and corners with two equivalent O(1)Li3Si tetrahedra. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Si(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Fe(2), and one Si(2) atom to form OLi2FeSi tetrahedra that share corners with two equivalent O(7)Li2FeSi tetrahedra, corners with two equivalent O(1)Li3Si tetrahedra, and corners with two equivalent O(4)LiFe2Si trigonal pyramids. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Fe(1), and one Si(2) atom to form OLi2FeSi tetrahedra that share corners with two equivalent O(6)Li2FeSi tetrahedra, corners with two equivalent O(1)Li3Si tetrahedra, and corners with two equivalent O(4)LiFe2Si trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Fe2(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.111
_cell_length_b   6.622
_cell_length_c   10.748
_cell_angle_alpha   89.339
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   363.781
_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  0.069  0.009  0.082  1.0
  Li  Li1  1  0.931  0.009  0.582  1.0
  Li  Li2  1  0.566  0.785  0.177  1.0
  Li  Li3  1  0.434  0.785  0.677  1.0
  Li  Li4  1  0.564  0.006  0.413  1.0
  Li  Li5  1  0.436  0.006  0.913  1.0
  Fe  Fe6  1  0.550  0.491  0.401  1.0
  Fe  Fe7  1  0.063  0.503  0.095  1.0
  Fe  Fe8  1  0.450  0.491  0.901  1.0
  Fe  Fe9  1  0.937  0.503  0.595  1.0
  Si  Si10  1  0.573  0.240  0.162  1.0
  Si  Si11  1  0.427  0.240  0.662  1.0
  Si  Si12  1  0.065  0.760  0.342  1.0
  Si  Si13  1  0.935  0.760  0.842  1.0
  O  O14  1  0.461  0.038  0.098  1.0
  O  O15  1  0.539  0.038  0.598  1.0
  O  O16  1  0.890  0.263  0.134  1.0
  O  O17  1  0.509  0.246  0.310  1.0
  O  O18  1  0.110  0.263  0.634  1.0
  O  O19  1  0.491  0.246  0.810  1.0
  O  O20  1  0.441  0.456  0.098  1.0
  O  O21  1  0.559  0.456  0.598  1.0
  O  O22  1  0.961  0.550  0.418  1.0
  O  O23  1  0.039  0.550  0.918  1.0
  O  O24  1  0.968  0.734  0.193  1.0
  O  O25  1  0.390  0.748  0.342  1.0
  O  O26  1  0.032  0.734  0.693  1.0
  O  O27  1  0.610  0.748  0.842  1.0
  O  O28  1  0.941  0.950  0.408  1.0
  O  O29  1  0.059  0.950  0.908  1.0
[/CIF]
.
The crystal structure described by Li3Fe2(SiO4)2 is Clathrate-derived structured and crystallizes in the monoclinic Pc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form distorted FeO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Fe(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(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), and one Si(1) atom to form OLi3Si tetrahedra that share corners with two equivalent O(6)Li2FeSi tetrahedra, corners with two equivalent O(7)Li2FeSi tetrahedra, and corners with two equivalent O(4)LiFe2Si trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(3), one Fe(1), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Li(2), one Fe(1), one Fe(2), and one Si(1) atom to form distorted OLiFe2Si trigonal pyramids that share corners with two equivalent O(6)Li2FeSi tetrahedra, corners with two equivalent O(7)Li2FeSi tetrahedra, and corners with two equivalent O(1)Li3Si tetrahedra. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Si(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Fe(2), and one Si(2) atom to form OLi2FeSi tetrahedra that share corners with two equivalent O(7)Li2FeSi tetrahedra, corners with two equivalent O(1)Li3Si tetrahedra, and corners with two equivalent O(4)LiFe2Si trigonal pyramids. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Fe(1), and one Si(2) atom to form OLi2FeSi tetrahedra that share corners with two equivalent O(6)Li2FeSi tetrahedra, corners with two equivalent O(1)Li3Si tetrahedra, and corners with two equivalent O(4)LiFe2Si trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Fe2(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.111
_cell_length_b   6.622
_cell_length_c   10.748
_cell_angle_alpha   89.339
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   363.781
_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  0.069  0.009  0.082  1.0
  Li  Li1  1  0.931  0.009  0.582  1.0
  Li  Li2  1  0.566  0.785  0.177  1.0
  Li  Li3  1  0.434  0.785  0.677  1.0
  Li  Li4  1  0.564  0.006  0.413  1.0
  Li  Li5  1  0.436  0.006  0.913  1.0
  Fe  Fe6  1  0.550  0.491  0.401  1.0
  Fe  Fe7  1  0.063  0.503  0.095  1.0
  Fe  Fe8  1  0.450  0.491  0.901  1.0
  Fe  Fe9  1  0.937  0.503  0.595  1.0
  Si  Si10  1  0.573  0.240  0.162  1.0
  Si  Si11  1  0.427  0.240  0.662  1.0
  Si  Si12  1  0.065  0.760  0.342  1.0
  Si  Si13  1  0.935  0.760  0.842  1.0
  O  O14  1  0.461  0.038  0.098  1.0
  O  O15  1  0.539  0.038  0.598  1.0
  O  O16  1  0.890  0.263  0.134  1.0
  O  O17  1  0.509  0.246  0.310  1.0
  O  O18  1  0.110  0.263  0.634  1.0
  O  O19  1  0.491  0.246  0.810  1.0
  O  O20  1  0.441  0.456  0.098  1.0
  O  O21  1  0.559  0.456  0.598  1.0
  O  O22  1  0.961  0.550  0.418  1.0
  O  O23  1  0.039  0.550  0.918  1.0
  O  O24  1  0.968  0.734  0.193  1.0
  O  O25  1  0.390  0.748  0.342  1.0
  O  O26  1  0.032  0.734  0.693  1.0
  O  O27  1  0.610  0.748  0.842  1.0
  O  O28  1  0.941  0.950  0.408  1.0
  O  O29  1  0.059  0.950  0.908  1.0
[/CIF]
.