The material described by Li3Fe2(SiO4)2 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Fe(1)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(8) atom to form LiO4 tetrahedra that share 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(2), one O(7), and one O(8) atom to form distorted 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,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(4), one O(5), and one O(8) 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 Li(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(6), and one O(7) 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 Li(3)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(2), one Li(3), one Fe(2), and one Si(1) atom to form a mixture of corner and edge-sharing OLi2FeSi tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Fe(1), and one Si(1) atom to form a mixture of corner and edge-sharing OLi2FeSi tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one Si(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Fe(2), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OLi2FeSi trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Fe(1), and one Si(2) atom to form corner-sharing OLi2FeSi tetrahedra. is represented by the CIF card [CIF]
data_Li3Fe2(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.630
_cell_length_b   5.133
_cell_length_c   6.599
_cell_angle_alpha   89.472
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   360.017
_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  0.160  0.564  0.738  1.0
  Li  Li1  1  0.660  0.436  0.262  1.0
  Li  Li2  1  0.344  0.066  0.250  1.0
  Li  Li3  1  0.574  0.044  0.019  1.0
  Li  Li4  1  0.074  0.956  0.981  1.0
  Li  Li5  1  0.844  0.934  0.750  1.0
  Fe  Fe6  1  0.341  0.082  0.733  1.0
  Fe  Fe7  1  0.841  0.918  0.267  1.0
  Fe  Fe8  1  0.164  0.560  0.251  1.0
  Fe  Fe9  1  0.664  0.440  0.749  1.0
  Si  Si10  1  0.588  0.941  0.496  1.0
  Si  Si11  1  0.088  0.059  0.504  1.0
  Si  Si12  1  0.906  0.430  0.010  1.0
  Si  Si13  1  0.406  0.570  0.990  1.0
  O  O14  1  0.658  0.068  0.705  1.0
  O  O15  1  0.157  0.950  0.710  1.0
  O  O16  1  0.114  0.378  0.483  1.0
  O  O17  1  0.940  0.993  0.509  1.0
  O  O18  1  0.614  0.622  0.517  1.0
  O  O19  1  0.440  0.007  0.491  1.0
  O  O20  1  0.657  0.050  0.290  1.0
  O  O21  1  0.158  0.932  0.295  1.0
  O  O22  1  0.832  0.539  0.206  1.0
  O  O23  1  0.330  0.452  0.191  1.0
  O  O24  1  0.556  0.456  0.989  1.0
  O  O25  1  0.409  0.889  0.999  1.0
  O  O26  1  0.056  0.544  0.011  1.0
  O  O27  1  0.909  0.111  0.001  1.0
  O  O28  1  0.830  0.548  0.809  1.0
  O  O29  1  0.332  0.461  0.794  1.0
[/CIF]
.
The material described by Li3Fe2(SiO4)2 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Fe(1)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(8) atom to form LiO4 tetrahedra that share 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(2), one O(7), and one O(8) atom to form distorted 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,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(4), one O(5), and one O(8) 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 Li(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(6), and one O(7) 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 Li(3)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(2), one Li(3), one Fe(2), and one Si(1) atom to form a mixture of corner and edge-sharing OLi2FeSi tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Fe(1), and one Si(1) atom to form a mixture of corner and edge-sharing OLi2FeSi tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one Si(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Fe(2), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OLi2FeSi trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Fe(1), and one Si(2) atom to form corner-sharing OLi2FeSi tetrahedra. is represented by the CIF card [CIF]
data_Li3Fe2(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.630
_cell_length_b   5.133
_cell_length_c   6.599
_cell_angle_alpha   89.472
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   360.017
_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  0.160  0.564  0.738  1.0
  Li  Li1  1  0.660  0.436  0.262  1.0
  Li  Li2  1  0.344  0.066  0.250  1.0
  Li  Li3  1  0.574  0.044  0.019  1.0
  Li  Li4  1  0.074  0.956  0.981  1.0
  Li  Li5  1  0.844  0.934  0.750  1.0
  Fe  Fe6  1  0.341  0.082  0.733  1.0
  Fe  Fe7  1  0.841  0.918  0.267  1.0
  Fe  Fe8  1  0.164  0.560  0.251  1.0
  Fe  Fe9  1  0.664  0.440  0.749  1.0
  Si  Si10  1  0.588  0.941  0.496  1.0
  Si  Si11  1  0.088  0.059  0.504  1.0
  Si  Si12  1  0.906  0.430  0.010  1.0
  Si  Si13  1  0.406  0.570  0.990  1.0
  O  O14  1  0.658  0.068  0.705  1.0
  O  O15  1  0.157  0.950  0.710  1.0
  O  O16  1  0.114  0.378  0.483  1.0
  O  O17  1  0.940  0.993  0.509  1.0
  O  O18  1  0.614  0.622  0.517  1.0
  O  O19  1  0.440  0.007  0.491  1.0
  O  O20  1  0.657  0.050  0.290  1.0
  O  O21  1  0.158  0.932  0.295  1.0
  O  O22  1  0.832  0.539  0.206  1.0
  O  O23  1  0.330  0.452  0.191  1.0
  O  O24  1  0.556  0.456  0.989  1.0
  O  O25  1  0.409  0.889  0.999  1.0
  O  O26  1  0.056  0.544  0.011  1.0
  O  O27  1  0.909  0.111  0.001  1.0
  O  O28  1  0.830  0.548  0.809  1.0
  O  O29  1  0.332  0.461  0.794  1.0
[/CIF]
.