The structure described by LiFeSi3O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(4), one O(5), and two equivalent O(6) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, edges with two equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. Fe(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. In the third Si site, Si(3) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Si(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one Si(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Si(2) atom. is represented by the CIF file [CIF]
data_LiFeSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.384
_cell_length_b   7.388
_cell_length_c   7.896
_cell_angle_alpha   107.249
_cell_angle_beta   116.937
_cell_angle_gamma   101.361
_symmetry_Int_Tables_number   1
_cell_volume   337.873
_cell_formula_units_Z   2
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  0.743  0.871  0.755  1.0
  Li  Li1  1  0.257  0.129  0.245  1.0
  Fe  Fe2  1  0.834  0.202  0.173  1.0
  Fe  Fe3  1  0.166  0.798  0.827  1.0
  Si  Si4  1  0.552  0.307  0.784  1.0
  Si  Si5  1  0.767  0.351  0.556  1.0
  Si  Si6  1  0.165  0.243  0.838  1.0
  Si  Si7  1  0.835  0.757  0.162  1.0
  Si  Si8  1  0.233  0.649  0.444  1.0
  Si  Si9  1  0.448  0.693  0.216  1.0
  O  O10  1  0.679  0.181  0.897  1.0
  O  O11  1  0.935  0.259  0.688  1.0
  O  O12  1  0.682  0.555  0.932  1.0
  O  O13  1  0.875  0.602  0.669  1.0
  O  O14  1  0.541  0.268  0.560  1.0
  O  O15  1  0.106  0.043  0.881  1.0
  O  O16  1  0.297  0.232  0.718  1.0
  O  O17  1  0.686  0.250  0.309  1.0
  O  O18  1  0.314  0.750  0.691  1.0
  O  O19  1  0.703  0.768  0.282  1.0
  O  O20  1  0.894  0.957  0.119  1.0
  O  O21  1  0.459  0.732  0.440  1.0
  O  O22  1  0.125  0.398  0.331  1.0
  O  O23  1  0.318  0.445  0.068  1.0
  O  O24  1  0.065  0.741  0.312  1.0
  O  O25  1  0.321  0.819  0.103  1.0
[/CIF]
.
The structure described by LiFeSi3O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(4), one O(5), and two equivalent O(6) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, edges with two equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. Fe(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. In the third Si site, Si(3) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Si(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one Si(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Si(2) atom. is represented by the CIF file [CIF]
data_LiFeSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.384
_cell_length_b   7.388
_cell_length_c   7.896
_cell_angle_alpha   107.249
_cell_angle_beta   116.937
_cell_angle_gamma   101.361
_symmetry_Int_Tables_number   1
_cell_volume   337.873
_cell_formula_units_Z   2
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  0.743  0.871  0.755  1.0
  Li  Li1  1  0.257  0.129  0.245  1.0
  Fe  Fe2  1  0.834  0.202  0.173  1.0
  Fe  Fe3  1  0.166  0.798  0.827  1.0
  Si  Si4  1  0.552  0.307  0.784  1.0
  Si  Si5  1  0.767  0.351  0.556  1.0
  Si  Si6  1  0.165  0.243  0.838  1.0
  Si  Si7  1  0.835  0.757  0.162  1.0
  Si  Si8  1  0.233  0.649  0.444  1.0
  Si  Si9  1  0.448  0.693  0.216  1.0
  O  O10  1  0.679  0.181  0.897  1.0
  O  O11  1  0.935  0.259  0.688  1.0
  O  O12  1  0.682  0.555  0.932  1.0
  O  O13  1  0.875  0.602  0.669  1.0
  O  O14  1  0.541  0.268  0.560  1.0
  O  O15  1  0.106  0.043  0.881  1.0
  O  O16  1  0.297  0.232  0.718  1.0
  O  O17  1  0.686  0.250  0.309  1.0
  O  O18  1  0.314  0.750  0.691  1.0
  O  O19  1  0.703  0.768  0.282  1.0
  O  O20  1  0.894  0.957  0.119  1.0
  O  O21  1  0.459  0.732  0.440  1.0
  O  O22  1  0.125  0.398  0.331  1.0
  O  O23  1  0.318  0.445  0.068  1.0
  O  O24  1  0.065  0.741  0.312  1.0
  O  O25  1  0.321  0.819  0.103  1.0
[/CIF]
.