The material described by Li3FeSiO5 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Si(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. In the second Li site, Li(2) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Si(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Si(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. In the third Li site, Li(3) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Si(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Si(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. Si(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form SiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Si(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), one Fe(1), and one Si(1) atom to form distorted OLi4FeSi octahedra that share  a cornercorner with one O(3)Li3FeSi2 octahedra,  a cornercorner with one O(2)Li4FeSi octahedra, corners with two equivalent O(5)Li3Fe2Si octahedra, corners with two equivalent O(4)Li4FeSi octahedra,  an edgeedge with one O(1)Li4FeSi octahedra, edges with two equivalent O(5)Li3Fe2Si octahedra, edges with three equivalent O(3)Li3FeSi2 octahedra, edges with three equivalent O(2)Li4FeSi octahedra, and edges with three equivalent O(4)Li4FeSi octahedra. The corner-sharing octahedral tilt angles range from 5-16°. In the second O site, O(2) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Fe(1), and one Si(1) atom to form distorted OLi4FeSi octahedra that share  a cornercorner with one O(5)Li3Fe2Si octahedra,  a cornercorner with one O(1)Li4FeSi octahedra, corners with two equivalent O(3)Li3FeSi2 octahedra, corners with two equivalent O(4)Li4FeSi octahedra,  an edgeedge with one O(2)Li4FeSi octahedra, edges with two equivalent O(3)Li3FeSi2 octahedra, edges with three equivalent O(5)Li3Fe2Si octahedra, edges with three equivalent O(1)Li4FeSi octahedra, and edges with three equivalent O(4)Li4FeSi octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(1), one Fe(1), and two equivalent Si(1) atoms to form OLi3FeSi2 octahedra that share  a cornercorner with one O(1)Li4FeSi octahedra,  a cornercorner with one O(4)Li4FeSi octahedra, corners with two equivalent O(5)Li3Fe2Si octahedra, corners with two equivalent O(2)Li4FeSi octahedra, edges with two equivalent O(3)Li3FeSi2 octahedra, edges with two equivalent O(2)Li4FeSi octahedra, edges with two equivalent O(4)Li4FeSi octahedra, edges with three equivalent O(5)Li3Fe2Si octahedra, and edges with three equivalent O(1)Li4FeSi octahedra. The corner-sharing octahedral tilt angles range from 3-16°. In the fourth O site, O(4) is bonded to two equivalent Li(2), two equivalent Li(3), one Fe(1), and one Si(1) atom to form OLi4FeSi octahedra that share  a cornercorner with one O(5)Li3Fe2Si octahedra,  a cornercorner with one O(3)Li3FeSi2 octahedra, corners with two equivalent O(1)Li4FeSi octahedra, corners with two equivalent O(2)Li4FeSi octahedra, edges with two equivalent O(5)Li3Fe2Si octahedra, edges with two equivalent O(3)Li3FeSi2 octahedra, edges with two equivalent O(4)Li4FeSi octahedra, edges with three equivalent O(1)Li4FeSi octahedra, and edges with three equivalent O(2)Li4FeSi octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(1), two equivalent Fe(1), and one Si(1) atom to form OLi3Fe2Si octahedra that share  a cornercorner with one O(2)Li4FeSi octahedra,  a cornercorner with one O(4)Li4FeSi octahedra, corners with two equivalent O(3)Li3FeSi2 octahedra, corners with two equivalent O(1)Li4FeSi octahedra, edges with two equivalent O(5)Li3Fe2Si octahedra, edges with two equivalent O(1)Li4FeSi octahedra, edges with two equivalent O(4)Li4FeSi octahedra, edges with three equivalent O(3)Li3FeSi2 octahedra, and edges with three equivalent O(2)Li4FeSi octahedra. The corner-sharing octahedral tilt angles range from 3-12°. is represented by the CIF card [CIF]
data_Li3FeSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.124
_cell_length_b   5.749
_cell_length_c   6.273
_cell_angle_alpha   76.237
_cell_angle_beta   75.971
_cell_angle_gamma   73.493
_symmetry_Int_Tables_number   1
_cell_volume   169.005
_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  0.513  0.245  0.994  1.0
  Li  Li1  1  0.298  0.446  0.399  1.0
  Li  Li2  1  0.319  0.950  0.392  1.0
  Li  Li3  1  0.681  0.050  0.608  1.0
  Li  Li4  1  0.702  0.554  0.601  1.0
  Li  Li5  1  0.487  0.755  0.006  1.0
  Fe  Fe6  1  0.897  0.346  0.223  1.0
  Fe  Fe7  1  0.103  0.654  0.777  1.0
  Si  Si8  1  0.899  0.849  0.211  1.0
  Si  Si9  1  0.101  0.151  0.789  1.0
  O  O10  1  0.646  0.119  0.284  1.0
  O  O11  1  0.647  0.669  0.282  1.0
  O  O12  1  0.159  0.046  0.091  1.0
  O  O13  1  1.000  0.760  0.474  1.0
  O  O14  1  0.161  0.579  0.111  1.0
  O  O15  1  0.839  0.421  0.889  1.0
  O  O16  1  0.000  0.240  0.526  1.0
  O  O17  1  0.841  0.954  0.909  1.0
  O  O18  1  0.353  0.331  0.718  1.0
  O  O19  1  0.354  0.881  0.716  1.0
[/CIF]
.
The material described by Li3FeSiO5 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Si(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. In the second Li site, Li(2) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Si(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Si(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. In the third Li site, Li(3) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Si(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Si(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. Si(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form SiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Si(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), one Fe(1), and one Si(1) atom to form distorted OLi4FeSi octahedra that share  a cornercorner with one O(3)Li3FeSi2 octahedra,  a cornercorner with one O(2)Li4FeSi octahedra, corners with two equivalent O(5)Li3Fe2Si octahedra, corners with two equivalent O(4)Li4FeSi octahedra,  an edgeedge with one O(1)Li4FeSi octahedra, edges with two equivalent O(5)Li3Fe2Si octahedra, edges with three equivalent O(3)Li3FeSi2 octahedra, edges with three equivalent O(2)Li4FeSi octahedra, and edges with three equivalent O(4)Li4FeSi octahedra. The corner-sharing octahedral tilt angles range from 5-16°. In the second O site, O(2) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Fe(1), and one Si(1) atom to form distorted OLi4FeSi octahedra that share  a cornercorner with one O(5)Li3Fe2Si octahedra,  a cornercorner with one O(1)Li4FeSi octahedra, corners with two equivalent O(3)Li3FeSi2 octahedra, corners with two equivalent O(4)Li4FeSi octahedra,  an edgeedge with one O(2)Li4FeSi octahedra, edges with two equivalent O(3)Li3FeSi2 octahedra, edges with three equivalent O(5)Li3Fe2Si octahedra, edges with three equivalent O(1)Li4FeSi octahedra, and edges with three equivalent O(4)Li4FeSi octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(1), one Fe(1), and two equivalent Si(1) atoms to form OLi3FeSi2 octahedra that share  a cornercorner with one O(1)Li4FeSi octahedra,  a cornercorner with one O(4)Li4FeSi octahedra, corners with two equivalent O(5)Li3Fe2Si octahedra, corners with two equivalent O(2)Li4FeSi octahedra, edges with two equivalent O(3)Li3FeSi2 octahedra, edges with two equivalent O(2)Li4FeSi octahedra, edges with two equivalent O(4)Li4FeSi octahedra, edges with three equivalent O(5)Li3Fe2Si octahedra, and edges with three equivalent O(1)Li4FeSi octahedra. The corner-sharing octahedral tilt angles range from 3-16°. In the fourth O site, O(4) is bonded to two equivalent Li(2), two equivalent Li(3), one Fe(1), and one Si(1) atom to form OLi4FeSi octahedra that share  a cornercorner with one O(5)Li3Fe2Si octahedra,  a cornercorner with one O(3)Li3FeSi2 octahedra, corners with two equivalent O(1)Li4FeSi octahedra, corners with two equivalent O(2)Li4FeSi octahedra, edges with two equivalent O(5)Li3Fe2Si octahedra, edges with two equivalent O(3)Li3FeSi2 octahedra, edges with two equivalent O(4)Li4FeSi octahedra, edges with three equivalent O(1)Li4FeSi octahedra, and edges with three equivalent O(2)Li4FeSi octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(1), two equivalent Fe(1), and one Si(1) atom to form OLi3Fe2Si octahedra that share  a cornercorner with one O(2)Li4FeSi octahedra,  a cornercorner with one O(4)Li4FeSi octahedra, corners with two equivalent O(3)Li3FeSi2 octahedra, corners with two equivalent O(1)Li4FeSi octahedra, edges with two equivalent O(5)Li3Fe2Si octahedra, edges with two equivalent O(1)Li4FeSi octahedra, edges with two equivalent O(4)Li4FeSi octahedra, edges with three equivalent O(3)Li3FeSi2 octahedra, and edges with three equivalent O(2)Li4FeSi octahedra. The corner-sharing octahedral tilt angles range from 3-12°. is represented by the CIF card [CIF]
data_Li3FeSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.124
_cell_length_b   5.749
_cell_length_c   6.273
_cell_angle_alpha   76.237
_cell_angle_beta   75.971
_cell_angle_gamma   73.493
_symmetry_Int_Tables_number   1
_cell_volume   169.005
_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  0.513  0.245  0.994  1.0
  Li  Li1  1  0.298  0.446  0.399  1.0
  Li  Li2  1  0.319  0.950  0.392  1.0
  Li  Li3  1  0.681  0.050  0.608  1.0
  Li  Li4  1  0.702  0.554  0.601  1.0
  Li  Li5  1  0.487  0.755  0.006  1.0
  Fe  Fe6  1  0.897  0.346  0.223  1.0
  Fe  Fe7  1  0.103  0.654  0.777  1.0
  Si  Si8  1  0.899  0.849  0.211  1.0
  Si  Si9  1  0.101  0.151  0.789  1.0
  O  O10  1  0.646  0.119  0.284  1.0
  O  O11  1  0.647  0.669  0.282  1.0
  O  O12  1  0.159  0.046  0.091  1.0
  O  O13  1  1.000  0.760  0.474  1.0
  O  O14  1  0.161  0.579  0.111  1.0
  O  O15  1  0.839  0.421  0.889  1.0
  O  O16  1  0.000  0.240  0.526  1.0
  O  O17  1  0.841  0.954  0.909  1.0
  O  O18  1  0.353  0.331  0.718  1.0
  O  O19  1  0.354  0.881  0.716  1.0
[/CIF]
.