The material structure described by LiFeSiO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(2) atoms. Fe(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted FeO5 trigonal bipyramids that share corners with three equivalent Si(1)O4 tetrahedra, corners with two equivalent Fe(1)O5 trigonal bipyramids, and  an edgeedge with one Si(1)O4 tetrahedra. 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 three equivalent Fe(1)O5 trigonal bipyramids and  an edgeedge with one Fe(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one Si(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Fe(1), and one Si(1) atom to form distorted corner-sharing OLi2FeSi tetrahedra. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_LiFeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.984
_cell_length_b   7.847
_cell_length_c   9.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   358.225
_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  0.947  0.048  0.613  1.0
  Li  Li1  1  0.447  0.452  0.113  1.0
  Li  Li2  1  0.947  0.548  0.887  1.0
  Li  Li3  1  0.447  0.952  0.387  1.0
  Fe  Fe4  1  0.006  0.177  0.022  1.0
  Fe  Fe5  1  0.506  0.323  0.522  1.0
  Fe  Fe6  1  0.006  0.677  0.478  1.0
  Fe  Fe7  1  0.506  0.823  0.978  1.0
  Si  Si8  1  0.557  0.226  0.861  1.0
  Si  Si9  1  0.057  0.274  0.361  1.0
  Si  Si10  1  0.557  0.726  0.639  1.0
  Si  Si11  1  0.057  0.774  0.139  1.0
  O  O12  1  0.669  0.051  0.944  1.0
  O  O13  1  0.223  0.137  0.466  1.0
  O  O14  1  0.233  0.254  0.867  1.0
  O  O15  1  0.658  0.218  0.691  1.0
  O  O16  1  0.158  0.282  0.191  1.0
  O  O17  1  0.733  0.246  0.367  1.0
  O  O18  1  0.723  0.363  0.966  1.0
  O  O19  1  0.169  0.449  0.444  1.0
  O  O20  1  0.669  0.551  0.556  1.0
  O  O21  1  0.223  0.637  0.034  1.0
  O  O22  1  0.233  0.754  0.633  1.0
  O  O23  1  0.658  0.718  0.809  1.0
  O  O24  1  0.158  0.782  0.309  1.0
  O  O25  1  0.733  0.746  0.133  1.0
  O  O26  1  0.723  0.863  0.534  1.0
  O  O27  1  0.169  0.949  0.056  1.0
[/CIF]
.
The material structure described by LiFeSiO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(2) atoms. Fe(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted FeO5 trigonal bipyramids that share corners with three equivalent Si(1)O4 tetrahedra, corners with two equivalent Fe(1)O5 trigonal bipyramids, and  an edgeedge with one Si(1)O4 tetrahedra. 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 three equivalent Fe(1)O5 trigonal bipyramids and  an edgeedge with one Fe(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one Si(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Fe(1), and one Si(1) atom to form distorted corner-sharing OLi2FeSi tetrahedra. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_LiFeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.984
_cell_length_b   7.847
_cell_length_c   9.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   358.225
_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  0.947  0.048  0.613  1.0
  Li  Li1  1  0.447  0.452  0.113  1.0
  Li  Li2  1  0.947  0.548  0.887  1.0
  Li  Li3  1  0.447  0.952  0.387  1.0
  Fe  Fe4  1  0.006  0.177  0.022  1.0
  Fe  Fe5  1  0.506  0.323  0.522  1.0
  Fe  Fe6  1  0.006  0.677  0.478  1.0
  Fe  Fe7  1  0.506  0.823  0.978  1.0
  Si  Si8  1  0.557  0.226  0.861  1.0
  Si  Si9  1  0.057  0.274  0.361  1.0
  Si  Si10  1  0.557  0.726  0.639  1.0
  Si  Si11  1  0.057  0.774  0.139  1.0
  O  O12  1  0.669  0.051  0.944  1.0
  O  O13  1  0.223  0.137  0.466  1.0
  O  O14  1  0.233  0.254  0.867  1.0
  O  O15  1  0.658  0.218  0.691  1.0
  O  O16  1  0.158  0.282  0.191  1.0
  O  O17  1  0.733  0.246  0.367  1.0
  O  O18  1  0.723  0.363  0.966  1.0
  O  O19  1  0.169  0.449  0.444  1.0
  O  O20  1  0.669  0.551  0.556  1.0
  O  O21  1  0.223  0.637  0.034  1.0
  O  O22  1  0.233  0.754  0.633  1.0
  O  O23  1  0.658  0.718  0.809  1.0
  O  O24  1  0.158  0.782  0.309  1.0
  O  O25  1  0.733  0.746  0.133  1.0
  O  O26  1  0.723  0.863  0.534  1.0
  O  O27  1  0.169  0.949  0.056  1.0
[/CIF]
.