The structure described by LiFeSiO4 crystallizes in the hexagonal P6_3 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to three equivalent O(4) atoms. In the third Li site, Li(3) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. 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 four equivalent 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 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(3), one Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 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 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(2), one Fe(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.794
_cell_length_b   8.790
_cell_length_c   8.500
_cell_angle_alpha   90.010
_cell_angle_beta   90.008
_cell_angle_gamma   120.013
_symmetry_Int_Tables_number   1
_cell_volume   568.952
_cell_formula_units_Z   6
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  0.333  0.667  0.235  1.0
  Li  Li1  1  0.333  0.667  0.810  1.0
  Li  Li2  1  0.000  0.000  0.068  1.0
  Li  Li3  1  1.000  0.000  0.568  1.0
  Li  Li4  1  0.667  0.333  0.734  1.0
  Li  Li5  1  0.667  0.333  0.310  1.0
  Fe  Fe6  1  0.035  0.690  0.398  1.0
  Fe  Fe7  1  0.310  0.345  0.398  1.0
  Fe  Fe8  1  0.655  0.965  0.398  1.0
  Fe  Fe9  1  0.345  0.035  0.898  1.0
  Fe  Fe10  1  0.690  0.655  0.898  1.0
  Fe  Fe11  1  0.965  0.310  0.898  1.0
  Si  Si12  1  0.040  0.684  0.020  1.0
  Si  Si13  1  0.316  0.356  0.019  1.0
  Si  Si14  1  0.644  0.960  0.020  1.0
  Si  Si15  1  0.356  0.040  0.519  1.0
  Si  Si16  1  0.684  0.644  0.519  1.0
  Si  Si17  1  0.960  0.316  0.520  1.0
  O  O18  1  0.141  0.910  0.509  1.0
  O  O19  1  0.135  0.720  0.194  1.0
  O  O20  1  0.085  0.525  0.485  1.0
  O  O21  1  0.204  0.783  0.891  1.0
  O  O22  1  0.216  0.420  0.892  1.0
  O  O23  1  0.441  0.915  0.485  1.0
  O  O24  1  0.090  0.232  0.509  1.0
  O  O25  1  0.280  0.415  0.194  1.0
  O  O26  1  0.585  0.865  0.194  1.0
  O  O27  1  0.475  0.559  0.485  1.0
  O  O28  1  0.232  0.141  0.009  1.0
  O  O29  1  0.580  0.796  0.892  1.0
  O  O30  1  0.420  0.204  0.392  1.0
  O  O31  1  0.768  0.859  0.509  1.0
  O  O32  1  0.525  0.441  0.985  1.0
  O  O33  1  0.415  0.135  0.694  1.0
  O  O34  1  0.720  0.585  0.694  1.0
  O  O35  1  0.910  0.769  0.009  1.0
  O  O36  1  0.560  0.085  0.985  1.0
  O  O37  1  0.783  0.580  0.391  1.0
  O  O38  1  0.796  0.216  0.392  1.0
  O  O39  1  0.915  0.475  0.985  1.0
  O  O40  1  0.865  0.280  0.694  1.0
  O  O41  1  0.859  0.091  0.009  1.0
[/CIF]
.
The structure described by LiFeSiO4 crystallizes in the hexagonal P6_3 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to three equivalent O(4) atoms. In the third Li site, Li(3) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. 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 four equivalent 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 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(3), one Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 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 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(2), one Fe(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.794
_cell_length_b   8.790
_cell_length_c   8.500
_cell_angle_alpha   90.010
_cell_angle_beta   90.008
_cell_angle_gamma   120.013
_symmetry_Int_Tables_number   1
_cell_volume   568.952
_cell_formula_units_Z   6
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  0.333  0.667  0.235  1.0
  Li  Li1  1  0.333  0.667  0.810  1.0
  Li  Li2  1  0.000  0.000  0.068  1.0
  Li  Li3  1  1.000  0.000  0.568  1.0
  Li  Li4  1  0.667  0.333  0.734  1.0
  Li  Li5  1  0.667  0.333  0.310  1.0
  Fe  Fe6  1  0.035  0.690  0.398  1.0
  Fe  Fe7  1  0.310  0.345  0.398  1.0
  Fe  Fe8  1  0.655  0.965  0.398  1.0
  Fe  Fe9  1  0.345  0.035  0.898  1.0
  Fe  Fe10  1  0.690  0.655  0.898  1.0
  Fe  Fe11  1  0.965  0.310  0.898  1.0
  Si  Si12  1  0.040  0.684  0.020  1.0
  Si  Si13  1  0.316  0.356  0.019  1.0
  Si  Si14  1  0.644  0.960  0.020  1.0
  Si  Si15  1  0.356  0.040  0.519  1.0
  Si  Si16  1  0.684  0.644  0.519  1.0
  Si  Si17  1  0.960  0.316  0.520  1.0
  O  O18  1  0.141  0.910  0.509  1.0
  O  O19  1  0.135  0.720  0.194  1.0
  O  O20  1  0.085  0.525  0.485  1.0
  O  O21  1  0.204  0.783  0.891  1.0
  O  O22  1  0.216  0.420  0.892  1.0
  O  O23  1  0.441  0.915  0.485  1.0
  O  O24  1  0.090  0.232  0.509  1.0
  O  O25  1  0.280  0.415  0.194  1.0
  O  O26  1  0.585  0.865  0.194  1.0
  O  O27  1  0.475  0.559  0.485  1.0
  O  O28  1  0.232  0.141  0.009  1.0
  O  O29  1  0.580  0.796  0.892  1.0
  O  O30  1  0.420  0.204  0.392  1.0
  O  O31  1  0.768  0.859  0.509  1.0
  O  O32  1  0.525  0.441  0.985  1.0
  O  O33  1  0.415  0.135  0.694  1.0
  O  O34  1  0.720  0.585  0.694  1.0
  O  O35  1  0.910  0.769  0.009  1.0
  O  O36  1  0.560  0.085  0.985  1.0
  O  O37  1  0.783  0.580  0.391  1.0
  O  O38  1  0.796  0.216  0.392  1.0
  O  O39  1  0.915  0.475  0.985  1.0
  O  O40  1  0.865  0.280  0.694  1.0
  O  O41  1  0.859  0.091  0.009  1.0
[/CIF]
.