The crystal structure described by Li2FeSi3O8 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one O(7) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one Fe(1), one O(12), one O(14), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one O(10), one O(14), and one O(16) atom. In the fourth Li site, Li(4) is bonded in a 1-coordinate geometry to one O(14), one O(15), one O(16), and one O(8) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to one Li(2), one O(10), one O(12), and one O(15) atom. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to one O(14), one O(16), one O(3), and one O(9) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(6) atom. In the second Si site, Si(2) is bonded in a 4-coordinate geometry to one O(11), one O(2), one O(5), and one O(7) atom. In the third Si site, Si(3) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(4), and one O(9) atom. In the fourth Si site, Si(4) is bonded in a 2-coordinate geometry to one O(10), one O(14), one O(5), and one O(8) atom. In the fifth Si site, Si(5) is bonded in a distorted single-bond geometry to one O(11), one O(13), one O(15), and one O(8) atom. In the sixth Si site, Si(6) is bonded in a 4-coordinate geometry to one O(12), one O(16), one O(4), and one O(6) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Si(1) and one Si(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Si(1) and one Si(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(2) and one Si(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Si(3) and one Si(6) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Si(2) and one Si(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Si(1), and one Si(6) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Li(1) and one Si(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one Si(4), and one Si(5) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(2), and one Si(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(3), one Fe(1), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Si(2) and one Si(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one Si(6) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(4), one Fe(2), and one Si(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(1), and one Si(5) atom. In the sixteenth O site, O(16) is bonded in a distorted tetrahedral geometry to one Li(3), one Li(4), one Fe(2), and one Si(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2FeSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.519
_cell_length_b   6.632
_cell_length_c   9.607
_cell_angle_alpha   109.087
_cell_angle_beta   99.540
_cell_angle_gamma   100.913
_symmetry_Int_Tables_number   1
_cell_volume   373.616
_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  0.189  0.817  0.286  1.0
  Li  Li1  1  0.759  0.125  0.760  1.0
  Li  Li2  1  0.358  0.568  0.874  1.0
  Li  Li3  1  0.081  0.861  0.632  1.0
  Fe  Fe4  1  0.567  0.781  0.586  1.0
  Fe  Fe5  1  0.301  0.084  0.899  1.0
  Si  Si6  1  0.118  0.294  0.102  1.0
  Si  Si7  1  0.391  0.240  0.408  1.0
  Si  Si8  1  0.787  0.917  0.094  1.0
  Si  Si9  1  0.172  0.393  0.595  1.0
  Si  Si10  1  0.783  0.600  0.407  1.0
  Si  Si11  1  0.947  0.712  0.913  1.0
  O  O12  1  0.979  0.066  0.181  1.0
  O  O13  1  0.248  0.387  0.244  1.0
  O  O14  1  0.287  0.271  0.017  1.0
  O  O15  1  0.955  0.792  0.059  1.0
  O  O16  1  0.290  0.230  0.549  1.0
  O  O17  1  0.930  0.447  0.981  1.0
  O  O18  1  0.391  0.996  0.409  1.0
  O  O19  1  0.028  0.541  0.425  1.0
  O  O20  1  0.617  0.043  0.945  1.0
  O  O21  1  0.331  0.571  0.667  1.0
  O  O22  1  0.632  0.369  0.445  1.0
  O  O23  1  0.740  0.810  0.783  1.0
  O  O24  1  0.680  0.741  0.229  1.0
  O  O25  1  0.042  0.228  0.716  1.0
  O  O26  1  0.813  0.735  0.522  1.0
  O  O27  1  0.175  0.792  0.861  1.0
[/CIF]
.
The crystal structure described by Li2FeSi3O8 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one O(7) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one Fe(1), one O(12), one O(14), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one O(10), one O(14), and one O(16) atom. In the fourth Li site, Li(4) is bonded in a 1-coordinate geometry to one O(14), one O(15), one O(16), and one O(8) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to one Li(2), one O(10), one O(12), and one O(15) atom. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to one O(14), one O(16), one O(3), and one O(9) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(6) atom. In the second Si site, Si(2) is bonded in a 4-coordinate geometry to one O(11), one O(2), one O(5), and one O(7) atom. In the third Si site, Si(3) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(4), and one O(9) atom. In the fourth Si site, Si(4) is bonded in a 2-coordinate geometry to one O(10), one O(14), one O(5), and one O(8) atom. In the fifth Si site, Si(5) is bonded in a distorted single-bond geometry to one O(11), one O(13), one O(15), and one O(8) atom. In the sixth Si site, Si(6) is bonded in a 4-coordinate geometry to one O(12), one O(16), one O(4), and one O(6) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Si(1) and one Si(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Si(1) and one Si(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(2) and one Si(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Si(3) and one Si(6) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Si(2) and one Si(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Si(1), and one Si(6) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Li(1) and one Si(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one Si(4), and one Si(5) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(2), and one Si(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(3), one Fe(1), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Si(2) and one Si(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one Si(6) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(4), one Fe(2), and one Si(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(1), and one Si(5) atom. In the sixteenth O site, O(16) is bonded in a distorted tetrahedral geometry to one Li(3), one Li(4), one Fe(2), and one Si(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2FeSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.519
_cell_length_b   6.632
_cell_length_c   9.607
_cell_angle_alpha   109.087
_cell_angle_beta   99.540
_cell_angle_gamma   100.913
_symmetry_Int_Tables_number   1
_cell_volume   373.616
_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  0.189  0.817  0.286  1.0
  Li  Li1  1  0.759  0.125  0.760  1.0
  Li  Li2  1  0.358  0.568  0.874  1.0
  Li  Li3  1  0.081  0.861  0.632  1.0
  Fe  Fe4  1  0.567  0.781  0.586  1.0
  Fe  Fe5  1  0.301  0.084  0.899  1.0
  Si  Si6  1  0.118  0.294  0.102  1.0
  Si  Si7  1  0.391  0.240  0.408  1.0
  Si  Si8  1  0.787  0.917  0.094  1.0
  Si  Si9  1  0.172  0.393  0.595  1.0
  Si  Si10  1  0.783  0.600  0.407  1.0
  Si  Si11  1  0.947  0.712  0.913  1.0
  O  O12  1  0.979  0.066  0.181  1.0
  O  O13  1  0.248  0.387  0.244  1.0
  O  O14  1  0.287  0.271  0.017  1.0
  O  O15  1  0.955  0.792  0.059  1.0
  O  O16  1  0.290  0.230  0.549  1.0
  O  O17  1  0.930  0.447  0.981  1.0
  O  O18  1  0.391  0.996  0.409  1.0
  O  O19  1  0.028  0.541  0.425  1.0
  O  O20  1  0.617  0.043  0.945  1.0
  O  O21  1  0.331  0.571  0.667  1.0
  O  O22  1  0.632  0.369  0.445  1.0
  O  O23  1  0.740  0.810  0.783  1.0
  O  O24  1  0.680  0.741  0.229  1.0
  O  O25  1  0.042  0.228  0.716  1.0
  O  O26  1  0.813  0.735  0.522  1.0
  O  O27  1  0.175  0.792  0.861  1.0
[/CIF]
.