The compound described by LiFeSiO4 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Fe(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 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 trigonal non-coplanar geometry to one Li(1), 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(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_LiFeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.662
_cell_length_b   5.055
_cell_length_c   7.875
_cell_angle_alpha   50.749
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.535
_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  0.163  0.761  0.250  1.0
  Li  Li1  1  0.837  0.761  0.750  1.0
  Fe  Fe2  1  0.661  0.009  0.002  1.0
  Fe  Fe3  1  0.339  0.009  0.502  1.0
  Si  Si4  1  0.665  0.508  0.499  1.0
  Si  Si5  1  0.335  0.508  0.999  1.0
  O  O6  1  0.399  0.662  0.478  1.0
  O  O7  1  0.791  0.395  0.726  1.0
  O  O8  1  0.821  0.796  0.276  1.0
  O  O9  1  0.364  0.163  0.019  1.0
  O  O10  1  0.601  0.662  0.978  1.0
  O  O11  1  0.179  0.796  0.776  1.0
  O  O12  1  0.209  0.395  0.226  1.0
  O  O13  1  0.636  0.163  0.519  1.0
[/CIF]
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The compound described by LiFeSiO4 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Fe(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 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 trigonal non-coplanar geometry to one Li(1), 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(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_LiFeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.662
_cell_length_b   5.055
_cell_length_c   7.875
_cell_angle_alpha   50.749
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.535
_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  0.163  0.761  0.250  1.0
  Li  Li1  1  0.837  0.761  0.750  1.0
  Fe  Fe2  1  0.661  0.009  0.002  1.0
  Fe  Fe3  1  0.339  0.009  0.502  1.0
  Si  Si4  1  0.665  0.508  0.499  1.0
  Si  Si5  1  0.335  0.508  0.999  1.0
  O  O6  1  0.399  0.662  0.478  1.0
  O  O7  1  0.791  0.395  0.726  1.0
  O  O8  1  0.821  0.796  0.276  1.0
  O  O9  1  0.364  0.163  0.019  1.0
  O  O10  1  0.601  0.662  0.978  1.0
  O  O11  1  0.179  0.796  0.776  1.0
  O  O12  1  0.209  0.395  0.226  1.0
  O  O13  1  0.636  0.163  0.519  1.0
[/CIF]
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