The compound described by LiFeSiO4 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), one O(6), and one O(8) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(2), one O(4), one O(5), and one O(7) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and one O(8) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. 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 3-coordinate geometry to one Li(2), one Fe(1), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one Si(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_LiFeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.100
_cell_length_b   5.217
_cell_length_c   6.737
_cell_angle_alpha   89.996
_cell_angle_beta   89.707
_cell_angle_gamma   89.747
_symmetry_Int_Tables_number   1
_cell_volume   179.222
_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  0.998  0.511  0.819  1.0
  Li  Li1  1  0.496  0.013  0.180  1.0
  Fe  Fe2  1  0.995  0.015  0.177  1.0
  Fe  Fe3  1  0.496  0.513  0.821  1.0
  Si  Si4  1  0.748  0.013  0.684  1.0
  Si  Si5  1  0.246  0.518  0.315  1.0
  O  O6  1  0.945  0.899  0.835  1.0
  O  O7  1  0.761  0.953  0.375  1.0
  O  O8  1  0.735  0.332  0.737  1.0
  O  O9  1  0.551  0.878  0.815  1.0
  O  O10  1  0.442  0.402  0.163  1.0
  O  O11  1  0.261  0.455  0.623  1.0
  O  O12  1  0.233  0.837  0.266  1.0
  O  O13  1  0.048  0.382  0.185  1.0
[/CIF]
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The compound described by LiFeSiO4 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), one O(6), and one O(8) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(2), one O(4), one O(5), and one O(7) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and one O(8) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. 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 3-coordinate geometry to one Li(2), one Fe(1), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one Si(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Fe(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_LiFeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.100
_cell_length_b   5.217
_cell_length_c   6.737
_cell_angle_alpha   89.996
_cell_angle_beta   89.707
_cell_angle_gamma   89.747
_symmetry_Int_Tables_number   1
_cell_volume   179.222
_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  0.998  0.511  0.819  1.0
  Li  Li1  1  0.496  0.013  0.180  1.0
  Fe  Fe2  1  0.995  0.015  0.177  1.0
  Fe  Fe3  1  0.496  0.513  0.821  1.0
  Si  Si4  1  0.748  0.013  0.684  1.0
  Si  Si5  1  0.246  0.518  0.315  1.0
  O  O6  1  0.945  0.899  0.835  1.0
  O  O7  1  0.761  0.953  0.375  1.0
  O  O8  1  0.735  0.332  0.737  1.0
  O  O9  1  0.551  0.878  0.815  1.0
  O  O10  1  0.442  0.402  0.163  1.0
  O  O11  1  0.261  0.455  0.623  1.0
  O  O12  1  0.233  0.837  0.266  1.0
  O  O13  1  0.048  0.382  0.185  1.0
[/CIF]
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