The compound described by Li3Fe2(SiO4)2 is Clathrate-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(4) and two equivalent O(7) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent O(3) and two equivalent O(8) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form SiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and  an edgeedge with one Li(1)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 two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)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(3) is bonded to one Li(2), one Li(3), one Fe(2), and one Si(2) atom to form a mixture of edge and corner-sharing OLi2FeSi trigonal pyramids. In the second O site, O(4) is bonded to one Li(1), one Li(4), one Fe(1), and one Si(1) atom to form a mixture of edge and corner-sharing OLi2FeSi trigonal pyramids. In the third O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(2), and one Si(1) atom. In the fourth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(1), and one Si(2) atom. In the fifth O site, O(7) is bonded to one Li(1), one Li(3), one Fe(2), and one Si(3) atom to form distorted corner-sharing OLi2FeSi tetrahedra. In the sixth O site, O(8) is bonded to one Li(2), one Li(4), one Fe(1), and one Si(3) atom to form distorted corner-sharing OLi2FeSi tetrahedra. In the seventh O site, O(1) is bonded in a trigonal planar geometry to one Li(3), one Fe(1), and one Si(3) atom. In the eighth O site, O(2) is bonded in a trigonal planar geometry to one Li(4), one Fe(2), and one Si(3) 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   7.350
_cell_length_b   7.605
_cell_length_c   8.292
_cell_angle_alpha   116.440
_cell_angle_beta   63.695
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   360.609
_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  0.544  0.625  0.250  1.0
  Li  Li1  1  0.065  0.125  0.250  1.0
  Li  Li2  1  0.747  0.560  0.506  1.0
  Li  Li3  1  0.255  0.056  0.493  1.0
  Li  Li4  1  0.498  0.194  0.007  1.0
  Li  Li5  1  0.004  0.690  0.994  1.0
  Fe  Fe6  1  0.515  0.815  0.984  1.0
  Fe  Fe7  1  0.249  0.435  0.516  1.0
  Fe  Fe8  1  0.002  0.313  0.995  1.0
  Fe  Fe9  1  0.747  0.937  0.505  1.0
  Si  Si10  1  0.189  0.625  0.250  1.0
  Si  Si11  1  0.692  0.125  0.250  1.0
  Si  Si12  1  0.296  0.886  0.760  1.0
  Si  Si13  1  0.806  0.364  0.740  1.0
  O  O14  1  0.686  0.546  0.746  1.0
  O  O15  1  0.170  0.064  0.757  1.0
  O  O16  1  0.677  0.186  0.743  1.0
  O  O17  1  0.182  0.704  0.754  1.0
  O  O18  1  0.841  0.294  0.243  1.0
  O  O19  1  0.331  0.791  0.240  1.0
  O  O20  1  0.834  0.956  0.257  1.0
  O  O21  1  0.321  0.459  0.260  1.0
  O  O22  1  0.951  0.736  0.452  1.0
  O  O23  1  0.466  0.221  0.459  1.0
  O  O24  1  0.153  0.514  0.048  1.0
  O  O25  1  0.675  0.029  0.041  1.0
  O  O26  1  0.532  0.789  0.542  1.0
  O  O27  1  0.038  0.253  0.529  1.0
  O  O28  1  0.317  0.997  0.971  1.0
  O  O29  1  0.824  0.461  0.958  1.0
[/CIF]
.
The compound described by Li3Fe2(SiO4)2 is Clathrate-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(4) and two equivalent O(7) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent O(3) and two equivalent O(8) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form SiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and  an edgeedge with one Li(1)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 two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)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(3) is bonded to one Li(2), one Li(3), one Fe(2), and one Si(2) atom to form a mixture of edge and corner-sharing OLi2FeSi trigonal pyramids. In the second O site, O(4) is bonded to one Li(1), one Li(4), one Fe(1), and one Si(1) atom to form a mixture of edge and corner-sharing OLi2FeSi trigonal pyramids. In the third O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(2), and one Si(1) atom. In the fourth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(1), and one Si(2) atom. In the fifth O site, O(7) is bonded to one Li(1), one Li(3), one Fe(2), and one Si(3) atom to form distorted corner-sharing OLi2FeSi tetrahedra. In the sixth O site, O(8) is bonded to one Li(2), one Li(4), one Fe(1), and one Si(3) atom to form distorted corner-sharing OLi2FeSi tetrahedra. In the seventh O site, O(1) is bonded in a trigonal planar geometry to one Li(3), one Fe(1), and one Si(3) atom. In the eighth O site, O(2) is bonded in a trigonal planar geometry to one Li(4), one Fe(2), and one Si(3) 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   7.350
_cell_length_b   7.605
_cell_length_c   8.292
_cell_angle_alpha   116.440
_cell_angle_beta   63.695
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   360.609
_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  0.544  0.625  0.250  1.0
  Li  Li1  1  0.065  0.125  0.250  1.0
  Li  Li2  1  0.747  0.560  0.506  1.0
  Li  Li3  1  0.255  0.056  0.493  1.0
  Li  Li4  1  0.498  0.194  0.007  1.0
  Li  Li5  1  0.004  0.690  0.994  1.0
  Fe  Fe6  1  0.515  0.815  0.984  1.0
  Fe  Fe7  1  0.249  0.435  0.516  1.0
  Fe  Fe8  1  0.002  0.313  0.995  1.0
  Fe  Fe9  1  0.747  0.937  0.505  1.0
  Si  Si10  1  0.189  0.625  0.250  1.0
  Si  Si11  1  0.692  0.125  0.250  1.0
  Si  Si12  1  0.296  0.886  0.760  1.0
  Si  Si13  1  0.806  0.364  0.740  1.0
  O  O14  1  0.686  0.546  0.746  1.0
  O  O15  1  0.170  0.064  0.757  1.0
  O  O16  1  0.677  0.186  0.743  1.0
  O  O17  1  0.182  0.704  0.754  1.0
  O  O18  1  0.841  0.294  0.243  1.0
  O  O19  1  0.331  0.791  0.240  1.0
  O  O20  1  0.834  0.956  0.257  1.0
  O  O21  1  0.321  0.459  0.260  1.0
  O  O22  1  0.951  0.736  0.452  1.0
  O  O23  1  0.466  0.221  0.459  1.0
  O  O24  1  0.153  0.514  0.048  1.0
  O  O25  1  0.675  0.029  0.041  1.0
  O  O26  1  0.532  0.789  0.542  1.0
  O  O27  1  0.038  0.253  0.529  1.0
  O  O28  1  0.317  0.997  0.971  1.0
  O  O29  1  0.824  0.461  0.958  1.0
[/CIF]
.