data_Li2FeSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeSiO5
_chemical_formula_sum   'Li4 Fe2 Si2 O10'
_cell_volume   186.39
_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  0.61  0.83  0.25  1.0
  Li  Li1  1  0.61  0.61  0.25  1.0
  Li  Li2  1  0.83  0.61  0.25  1.0
  Li  Li3  1  0.83  0.83  0.25  1.0
  Fe  Fe4  1  0.22  0.0  0.49  1.0
  Fe  Fe5  1  0.0  0.22  0.01  1.0
  Si  Si6  1  0.22  0.22  0.0  1.0
  Si  Si7  1  0.0  0.0  0.0  1.0
  O  O8  1  0.91  0.22  0.5  1.0
  O  O9  1  0.22  0.0  0.23  1.0
  O  O10  1  0.22  0.91  1.0  1.0
  O  O11  1  0.22  0.52  1.0  1.0
  O  O12  1  0.52  0.22  0.5  1.0
  O  O13  1  0.13  0.0  1.0  1.0
  O  O14  1  0.0  0.13  0.5  1.0
  O  O15  1  0.0  0.3  0.5  1.0
  O  O16  1  0.0  0.22  0.27  1.0
  O  O17  1  0.3  0.0  1.0  1.0

data_Li2FeSiO5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeSiO5
_chemical_formula_sum   'Li4 Fe2 Si2 O10'
_cell_volume   186.39
_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  0.25  0.61  0.61  1.0
  Li  Li1  1  0.25  0.61  0.83  1.0
  Li  Li2  1  0.25  0.83  0.61  1.0
  Li  Li3  1  0.25  0.83  0.83  1.0
  Fe  Fe4  1  0.01  -0.0  0.22  1.0
  Fe  Fe5  1  0.49  0.22  0.0  1.0
  Si  Si6  1  0.0  0.0  0.0  1.0
  Si  Si7  1  0.0  0.22  0.22  1.0
  O  O8  1  0.23  0.22  0.0  1.0
  O  O9  1  0.27  -0.0  0.22  1.0
  O  O10  1  0.5  -0.0  0.3  1.0
  O  O11  1  0.5  -0.0  0.13  1.0
  O  O12  1  0.5  0.52  0.22  1.0
  O  O13  1  0.5  0.91  0.22  1.0
  O  O14  1  1.0  0.13  0.0  1.0
  O  O15  1  1.0  0.22  0.52  1.0
  O  O16  1  1.0  0.22  0.91  1.0
  O  O17  1  1.0  0.3  0.0  1.0

Li Li Li Li Fe Fe Si Si O O O O O O O O O O
Li Li Li Li Fe Fe Si Si O O O O O O O O O O 0 1 o o o 0 3 o o o 0 12 o + o 1 2 o o o 1 12 o o o 2 3 o o o 4 9 o o o 4 12 o o o 5 7 o o o 5 6 o o o 5 16 o o o 5 11 o o - 6 13 o o - 6 17 o o - 6 9 o o o 6 11 o o - 6 12 o o o 6 12 o o - 7 13 o o - 8 14 + o o 8 15 + o o 8 12 o o o 8 16 + o o 9 13 o o - 9 10 o - - 9 17 o o - 9 12 o o o 10 13 o + o 10 17 o + o 12 17 o o - 12 17 o o o 12 14 + o o 12 16 + o o 12 15 + o o 14 16 o o o 15 16 o o o 
Li2FeSiO5 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one Li(2), one Li(4), and one O(10) atom. The Li(1)-Li(2) bond length is 1.41 Å. The Li(1)-Li(4) bond length is 1.41 Å. The Li(1)-O(10) bond length is 2.53 Å. In the second Li site, Li(2) is bonded in an L-shaped geometry to one Li(1) and one Li(3) atom. The Li(2)-Li(3) bond length is 1.41 Å. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one Li(2), one Li(4), and one O(8) atom. The Li(3)-Li(4) bond length is 1.41 Å. The Li(3)-O(8) bond length is 2.53 Å. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Si(2), and one O(7) atom. The Li(4)-Si(2) bond length is 1.93 Å. The Li(4)-O(7) bond length is 2.53 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted L-shaped geometry to one O(10), one O(2), one O(5), and one O(7) atom. The Fe(1)-O(10) bond length is 2.34 Å. The Fe(1)-O(2) bond length is 1.18 Å. The Fe(1)-O(5) bond length is 2.41 Å. The Fe(1)-O(7) bond length is 1.65 Å. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one Si(1), one O(8), and one O(9) atom. The Fe(2)-Si(1) bond length is 1.41 Å. The Fe(2)-O(8) bond length is 2.34 Å. The Fe(2)-O(9) bond length is 1.18 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to one Fe(2), one O(10), one O(2), one O(4), one O(6), and one O(9) atom. The Si(1)-O(10) bond length is 1.51 Å. The Si(1)-O(2) bond length is 1.74 Å. The Si(1)-O(4) bond length is 1.96 Å. The Si(1)-O(6) bond length is 1.51 Å. The Si(1)-O(9) bond length is 1.86 Å. In the second Si site, Si(2) is bonded in a single-bond geometry to one Li(4) and one O(6) atom. The Si(2)-O(6) bond length is 0.85 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one O(7) and one O(8) atom. The O(1)-O(7) bond length is 0.78 Å. The O(1)-O(8) bond length is 0.78 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Fe(1), one Si(1), and one O(10) atom. The O(2)-O(10) bond length is 1.18 Å. In the third O site, O(3) is bonded in a distorted L-shaped geometry to one O(10) and one O(6) atom. The O(3)-O(10) bond length is 0.78 Å. The O(3)-O(6) bond length is 0.78 Å. In the fourth O site, O(4) is bonded in a single-bond geometry to one Si(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Fe(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Si(1), one Si(2), one O(10), and one O(3) atom. The O(6)-O(10) bond length is 1.11 Å. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Li(4), one Fe(1), one O(1), and one O(8) atom. The O(7)-O(8) bond length is 1.11 Å. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(3), one Fe(2), one O(1), one O(7), and one O(9) atom. The O(8)-O(9) bond length is 1.18 Å. In the ninth O site, O(9) is bonded in a single-bond geometry to one Fe(2), one Si(1), and one O(8) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Li(1), one Fe(1), one Si(1), one O(2), one O(3), and one O(6) atom.