The compound described by LiFeSiO4 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(2) and three equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra. There are two 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 linear geometry to one Fe(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_LiFeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.232
_cell_length_b   5.232
_cell_length_c   9.339
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   221.423
_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  0.000  0.000  0.198  1.0
  Li  Li1  1  0.000  0.000  0.698  1.0
  Fe  Fe2  1  0.333  0.667  0.135  1.0
  Fe  Fe3  1  0.667  0.333  0.635  1.0
  Si  Si4  1  0.333  0.667  0.765  1.0
  Si  Si5  1  0.667  0.333  0.265  1.0
  O  O6  1  0.030  0.377  0.704  1.0
  O  O7  1  0.347  0.970  0.704  1.0
  O  O8  1  0.333  0.667  0.939  1.0
  O  O9  1  0.377  0.347  0.204  1.0
  O  O10  1  0.623  0.653  0.704  1.0
  O  O11  1  0.667  0.333  0.439  1.0
  O  O12  1  0.653  0.030  0.204  1.0
  O  O13  1  0.970  0.623  0.204  1.0
[/CIF]
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The compound described by LiFeSiO4 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(2) and three equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra. There are two 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 linear geometry to one Fe(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_LiFeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.232
_cell_length_b   5.232
_cell_length_c   9.339
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   221.423
_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  0.000  0.000  0.198  1.0
  Li  Li1  1  0.000  0.000  0.698  1.0
  Fe  Fe2  1  0.333  0.667  0.135  1.0
  Fe  Fe3  1  0.667  0.333  0.635  1.0
  Si  Si4  1  0.333  0.667  0.765  1.0
  Si  Si5  1  0.667  0.333  0.265  1.0
  O  O6  1  0.030  0.377  0.704  1.0
  O  O7  1  0.347  0.970  0.704  1.0
  O  O8  1  0.333  0.667  0.939  1.0
  O  O9  1  0.377  0.347  0.204  1.0
  O  O10  1  0.623  0.653  0.704  1.0
  O  O11  1  0.667  0.333  0.439  1.0
  O  O12  1  0.653  0.030  0.204  1.0
  O  O13  1  0.970  0.623  0.204  1.0
[/CIF]
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