The material structure described by Li2FeSiO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. Fe(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra and corners with eight equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Fe(1), and one Si(1) atom to form corner-sharing OLi2FeSi tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one Fe(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLi2FeSi trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Fe(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLi2FeSi tetrahedra. is represented by the CIF card [CIF]
data_Li2FeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.120
_cell_length_b   6.362
_cell_length_c   10.771
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   350.815
_cell_formula_units_Z   4
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  0.208  0.994  0.331  1.0
  Li  Li1  1  0.292  0.994  0.831  1.0
  Li  Li2  1  0.208  0.506  0.331  1.0
  Li  Li3  1  0.292  0.506  0.831  1.0
  Li  Li4  1  0.708  0.494  0.169  1.0
  Li  Li5  1  0.792  0.494  0.669  1.0
  Li  Li6  1  0.792  0.006  0.669  1.0
  Li  Li7  1  0.708  0.006  0.169  1.0
  Fe  Fe8  1  0.701  0.250  0.919  1.0
  Fe  Fe9  1  0.201  0.750  0.581  1.0
  Fe  Fe10  1  0.799  0.250  0.419  1.0
  Fe  Fe11  1  0.299  0.750  0.081  1.0
  Si  Si12  1  0.196  0.250  0.084  1.0
  Si  Si13  1  0.304  0.250  0.585  1.0
  Si  Si14  1  0.696  0.750  0.416  1.0
  Si  Si15  1  0.804  0.750  0.916  1.0
  O  O16  1  0.872  0.250  0.091  1.0
  O  O17  1  0.628  0.250  0.591  1.0
  O  O18  1  0.372  0.750  0.409  1.0
  O  O19  1  0.128  0.750  0.909  1.0
  O  O20  1  0.214  0.250  0.437  1.0
  O  O21  1  0.286  0.250  0.937  1.0
  O  O22  1  0.714  0.750  0.063  1.0
  O  O23  1  0.786  0.750  0.563  1.0
  O  O24  1  0.307  0.039  0.157  1.0
  O  O25  1  0.193  0.039  0.657  1.0
  O  O26  1  0.307  0.461  0.157  1.0
  O  O27  1  0.193  0.461  0.657  1.0
  O  O28  1  0.693  0.539  0.843  1.0
  O  O29  1  0.807  0.539  0.343  1.0
  O  O30  1  0.807  0.961  0.343  1.0
  O  O31  1  0.693  0.961  0.843  1.0
[/CIF]
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The material structure described by Li2FeSiO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. Fe(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra and corners with eight equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Fe(1), and one Si(1) atom to form corner-sharing OLi2FeSi tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one Fe(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLi2FeSi trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Fe(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLi2FeSi tetrahedra. is represented by the CIF card [CIF]
data_Li2FeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.120
_cell_length_b   6.362
_cell_length_c   10.771
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   350.815
_cell_formula_units_Z   4
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  0.208  0.994  0.331  1.0
  Li  Li1  1  0.292  0.994  0.831  1.0
  Li  Li2  1  0.208  0.506  0.331  1.0
  Li  Li3  1  0.292  0.506  0.831  1.0
  Li  Li4  1  0.708  0.494  0.169  1.0
  Li  Li5  1  0.792  0.494  0.669  1.0
  Li  Li6  1  0.792  0.006  0.669  1.0
  Li  Li7  1  0.708  0.006  0.169  1.0
  Fe  Fe8  1  0.701  0.250  0.919  1.0
  Fe  Fe9  1  0.201  0.750  0.581  1.0
  Fe  Fe10  1  0.799  0.250  0.419  1.0
  Fe  Fe11  1  0.299  0.750  0.081  1.0
  Si  Si12  1  0.196  0.250  0.084  1.0
  Si  Si13  1  0.304  0.250  0.585  1.0
  Si  Si14  1  0.696  0.750  0.416  1.0
  Si  Si15  1  0.804  0.750  0.916  1.0
  O  O16  1  0.872  0.250  0.091  1.0
  O  O17  1  0.628  0.250  0.591  1.0
  O  O18  1  0.372  0.750  0.409  1.0
  O  O19  1  0.128  0.750  0.909  1.0
  O  O20  1  0.214  0.250  0.437  1.0
  O  O21  1  0.286  0.250  0.937  1.0
  O  O22  1  0.714  0.750  0.063  1.0
  O  O23  1  0.786  0.750  0.563  1.0
  O  O24  1  0.307  0.039  0.157  1.0
  O  O25  1  0.193  0.039  0.657  1.0
  O  O26  1  0.307  0.461  0.157  1.0
  O  O27  1  0.193  0.461  0.657  1.0
  O  O28  1  0.693  0.539  0.843  1.0
  O  O29  1  0.807  0.539  0.343  1.0
  O  O30  1  0.807  0.961  0.343  1.0
  O  O31  1  0.693  0.961  0.843  1.0
[/CIF]
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