The structure described by LiFeSi3O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(8) atom. Fe(1) is bonded to one O(1), one O(4), one O(6), one O(8), and two equivalent O(5) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Si(2)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-37°. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the third Si site, Si(3) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar 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 linear geometry to one Si(1) and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Fe(1), and one Si(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(1), one Si(1), and one Si(2) 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 trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_LiFeSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.024
_cell_length_b   7.110
_cell_length_c   7.115
_cell_angle_alpha   81.616
_cell_angle_beta   109.029
_cell_angle_gamma   61.757
_symmetry_Int_Tables_number   1
_cell_volume   315.337
_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  0.818  0.830  0.802  1.0
  Li  Li1  1  0.182  0.170  0.198  1.0
  Fe  Fe2  1  0.204  0.729  0.145  1.0
  Fe  Fe3  1  0.796  0.271  0.855  1.0
  Si  Si4  1  0.211  0.557  0.732  1.0
  Si  Si5  1  0.449  0.736  0.621  1.0
  Si  Si6  1  0.176  0.149  0.744  1.0
  Si  Si7  1  0.824  0.851  0.256  1.0
  Si  Si8  1  0.551  0.264  0.379  1.0
  Si  Si9  1  0.789  0.443  0.268  1.0
  O  O10  1  0.122  0.697  0.872  1.0
  O  O11  1  0.361  0.935  0.720  1.0
  O  O12  1  0.034  0.699  0.484  1.0
  O  O13  1  0.308  0.840  0.364  1.0
  O  O14  1  0.108  0.085  0.926  1.0
  O  O15  1  0.432  0.529  0.743  1.0
  O  O16  1  0.273  0.297  0.814  1.0
  O  O17  1  0.705  0.595  0.709  1.0
  O  O18  1  0.295  0.405  0.291  1.0
  O  O19  1  0.727  0.703  0.186  1.0
  O  O20  1  0.568  0.471  0.257  1.0
  O  O21  1  0.892  0.915  0.074  1.0
  O  O22  1  0.692  0.160  0.636  1.0
  O  O23  1  0.966  0.301  0.516  1.0
  O  O24  1  0.639  0.065  0.280  1.0
  O  O25  1  0.878  0.303  0.128  1.0
[/CIF]
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The structure described by LiFeSi3O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(8) atom. Fe(1) is bonded to one O(1), one O(4), one O(6), one O(8), and two equivalent O(5) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Si(2)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-37°. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the third Si site, Si(3) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar 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 linear geometry to one Si(1) and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Fe(1), and one Si(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(1), one Si(1), and one Si(2) 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 trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_LiFeSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.024
_cell_length_b   7.110
_cell_length_c   7.115
_cell_angle_alpha   81.616
_cell_angle_beta   109.029
_cell_angle_gamma   61.757
_symmetry_Int_Tables_number   1
_cell_volume   315.337
_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  0.818  0.830  0.802  1.0
  Li  Li1  1  0.182  0.170  0.198  1.0
  Fe  Fe2  1  0.204  0.729  0.145  1.0
  Fe  Fe3  1  0.796  0.271  0.855  1.0
  Si  Si4  1  0.211  0.557  0.732  1.0
  Si  Si5  1  0.449  0.736  0.621  1.0
  Si  Si6  1  0.176  0.149  0.744  1.0
  Si  Si7  1  0.824  0.851  0.256  1.0
  Si  Si8  1  0.551  0.264  0.379  1.0
  Si  Si9  1  0.789  0.443  0.268  1.0
  O  O10  1  0.122  0.697  0.872  1.0
  O  O11  1  0.361  0.935  0.720  1.0
  O  O12  1  0.034  0.699  0.484  1.0
  O  O13  1  0.308  0.840  0.364  1.0
  O  O14  1  0.108  0.085  0.926  1.0
  O  O15  1  0.432  0.529  0.743  1.0
  O  O16  1  0.273  0.297  0.814  1.0
  O  O17  1  0.705  0.595  0.709  1.0
  O  O18  1  0.295  0.405  0.291  1.0
  O  O19  1  0.727  0.703  0.186  1.0
  O  O20  1  0.568  0.471  0.257  1.0
  O  O21  1  0.892  0.915  0.074  1.0
  O  O22  1  0.692  0.160  0.636  1.0
  O  O23  1  0.966  0.301  0.516  1.0
  O  O24  1  0.639  0.065  0.280  1.0
  O  O25  1  0.878  0.303  0.128  1.0
[/CIF]
.