The material structure described by LiFeSiO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(6), one O(7), and one O(8) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Si(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), one O(8), and two equivalent O(5) atoms to form FeO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra, corners with four equivalent Si(2)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the second Si site, Si(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Fe(1)O5 trigonal bipyramids and corners with four equivalent Fe(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one Si(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Li(1), one Fe(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Fe(2) and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), 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   5.894
_cell_length_b   6.502
_cell_length_c   9.474
_cell_angle_alpha   76.343
_cell_angle_beta   87.280
_cell_angle_gamma   79.113
_symmetry_Int_Tables_number   1
_cell_volume   346.461
_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  0.572  0.845  0.740  1.0
  Li  Li1  1  0.434  0.653  0.329  1.0
  Li  Li2  1  0.566  0.347  0.671  1.0
  Li  Li3  1  0.428  0.155  0.260  1.0
  Fe  Fe4  1  0.006  0.934  0.288  1.0
  Fe  Fe5  1  0.804  0.639  0.075  1.0
  Fe  Fe6  1  0.196  0.361  0.925  1.0
  Fe  Fe7  1  0.994  0.066  0.712  1.0
  Si  Si8  1  0.139  0.713  0.618  1.0
  Si  Si9  1  0.279  0.827  1.000  1.0
  Si  Si10  1  0.721  0.173  0.000  1.0
  Si  Si11  1  0.861  0.287  0.382  1.0
  O  O12  1  0.542  0.733  0.951  1.0
  O  O13  1  0.280  0.899  0.644  1.0
  O  O14  1  0.881  0.811  0.674  1.0
  O  O15  1  0.811  0.935  0.113  1.0
  O  O16  1  0.111  0.656  0.980  1.0
  O  O17  1  0.153  0.700  0.446  1.0
  O  O18  1  0.279  0.848  0.169  1.0
  O  O19  1  0.744  0.525  0.280  1.0
  O  O20  1  0.256  0.475  0.720  1.0
  O  O21  1  0.721  0.152  0.831  1.0
  O  O22  1  0.847  0.300  0.554  1.0
  O  O23  1  0.889  0.344  0.020  1.0
  O  O24  1  0.189  0.065  0.887  1.0
  O  O25  1  0.119  0.189  0.326  1.0
  O  O26  1  0.720  0.101  0.356  1.0
  O  O27  1  0.458  0.267  0.049  1.0
[/CIF]
.
The material structure described by LiFeSiO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(6), one O(7), and one O(8) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Si(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), one O(8), and two equivalent O(5) atoms to form FeO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra, corners with four equivalent Si(2)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the second Si site, Si(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Fe(1)O5 trigonal bipyramids and corners with four equivalent Fe(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one Si(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Li(1), one Fe(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Fe(2) and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), 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   5.894
_cell_length_b   6.502
_cell_length_c   9.474
_cell_angle_alpha   76.343
_cell_angle_beta   87.280
_cell_angle_gamma   79.113
_symmetry_Int_Tables_number   1
_cell_volume   346.461
_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  0.572  0.845  0.740  1.0
  Li  Li1  1  0.434  0.653  0.329  1.0
  Li  Li2  1  0.566  0.347  0.671  1.0
  Li  Li3  1  0.428  0.155  0.260  1.0
  Fe  Fe4  1  0.006  0.934  0.288  1.0
  Fe  Fe5  1  0.804  0.639  0.075  1.0
  Fe  Fe6  1  0.196  0.361  0.925  1.0
  Fe  Fe7  1  0.994  0.066  0.712  1.0
  Si  Si8  1  0.139  0.713  0.618  1.0
  Si  Si9  1  0.279  0.827  1.000  1.0
  Si  Si10  1  0.721  0.173  0.000  1.0
  Si  Si11  1  0.861  0.287  0.382  1.0
  O  O12  1  0.542  0.733  0.951  1.0
  O  O13  1  0.280  0.899  0.644  1.0
  O  O14  1  0.881  0.811  0.674  1.0
  O  O15  1  0.811  0.935  0.113  1.0
  O  O16  1  0.111  0.656  0.980  1.0
  O  O17  1  0.153  0.700  0.446  1.0
  O  O18  1  0.279  0.848  0.169  1.0
  O  O19  1  0.744  0.525  0.280  1.0
  O  O20  1  0.256  0.475  0.720  1.0
  O  O21  1  0.721  0.152  0.831  1.0
  O  O22  1  0.847  0.300  0.554  1.0
  O  O23  1  0.889  0.344  0.020  1.0
  O  O24  1  0.189  0.065  0.887  1.0
  O  O25  1  0.119  0.189  0.326  1.0
  O  O26  1  0.720  0.101  0.356  1.0
  O  O27  1  0.458  0.267  0.049  1.0
[/CIF]
.