The material structure described by Li3Fe2(SiO4)2 is Clathrate-derived structured and 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(2), one O(3), and one O(4) 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 Fe(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) 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(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with four equivalent Fe(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Si(2) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Fe(1), and one Si(1) atom to form a mixture of corner and edge-sharing OLi2FeSi trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Fe(1), and one Si(2) atom to form distorted corner-sharing OLi2FeSi tetrahedra. is represented by the CIF file [CIF]
data_Li3Fe2(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.291
_cell_length_b   5.291
_cell_length_c   6.420
_cell_angle_alpha   89.481
_cell_angle_beta   89.481
_cell_angle_gamma   87.622
_symmetry_Int_Tables_number   1
_cell_volume   179.580
_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  0.689  0.692  0.248  1.0
  Li  Li1  1  0.308  0.311  0.752  1.0
  Li  Li2  1  0.820  0.180  0.500  1.0
  Fe  Fe3  1  0.676  0.685  0.759  1.0
  Fe  Fe4  1  0.315  0.324  0.241  1.0
  Si  Si5  1  0.183  0.817  0.500  1.0
  Si  Si6  1  0.826  0.174  0.000  1.0
  O  O7  1  0.770  0.872  0.997  1.0
  O  O8  1  0.870  0.788  0.508  1.0
  O  O9  1  0.313  0.686  0.294  1.0
  O  O10  1  0.314  0.687  0.706  1.0
  O  O11  1  0.695  0.298  0.214  1.0
  O  O12  1  0.702  0.305  0.786  1.0
  O  O13  1  0.128  0.230  0.003  1.0
  O  O14  1  0.212  0.130  0.492  1.0
[/CIF]
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The material structure described by Li3Fe2(SiO4)2 is Clathrate-derived structured and 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(2), one O(3), and one O(4) 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 Fe(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) 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(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with four equivalent Fe(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Si(2) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Fe(1), and one Si(1) atom to form a mixture of corner and edge-sharing OLi2FeSi trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Fe(1), and one Si(2) atom to form distorted corner-sharing OLi2FeSi tetrahedra. is represented by the CIF file [CIF]
data_Li3Fe2(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.291
_cell_length_b   5.291
_cell_length_c   6.420
_cell_angle_alpha   89.481
_cell_angle_beta   89.481
_cell_angle_gamma   87.622
_symmetry_Int_Tables_number   1
_cell_volume   179.580
_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  0.689  0.692  0.248  1.0
  Li  Li1  1  0.308  0.311  0.752  1.0
  Li  Li2  1  0.820  0.180  0.500  1.0
  Fe  Fe3  1  0.676  0.685  0.759  1.0
  Fe  Fe4  1  0.315  0.324  0.241  1.0
  Si  Si5  1  0.183  0.817  0.500  1.0
  Si  Si6  1  0.826  0.174  0.000  1.0
  O  O7  1  0.770  0.872  0.997  1.0
  O  O8  1  0.870  0.788  0.508  1.0
  O  O9  1  0.313  0.686  0.294  1.0
  O  O10  1  0.314  0.687  0.706  1.0
  O  O11  1  0.695  0.298  0.214  1.0
  O  O12  1  0.702  0.305  0.786  1.0
  O  O13  1  0.128  0.230  0.003  1.0
  O  O14  1  0.212  0.130  0.492  1.0
[/CIF]
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