The material described by LiFeSiO4 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. 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 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 Fe(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 planar geometry to one Li(1), one Fe(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped 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   5.477
_cell_length_b   5.477
_cell_length_c   9.109
_cell_angle_alpha   63.354
_cell_angle_beta   63.354
_cell_angle_gamma   53.158
_symmetry_Int_Tables_number   1
_cell_volume   189.186
_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  0.536  0.748  0.867  1.0
  Li  Li1  1  0.748  0.536  0.367  1.0
  Fe  Fe2  1  0.492  0.175  0.504  1.0
  Fe  Fe3  1  0.175  0.492  0.004  1.0
  Si  Si4  1  0.855  0.109  0.747  1.0
  Si  Si5  1  0.109  0.855  0.247  1.0
  O  O6  1  0.196  0.086  0.694  1.0
  O  O7  1  0.868  0.773  0.875  1.0
  O  O8  1  0.578  0.384  0.850  1.0
  O  O9  1  0.760  0.187  0.578  1.0
  O  O10  1  0.086  0.196  0.194  1.0
  O  O11  1  0.773  0.868  0.375  1.0
  O  O12  1  0.384  0.578  0.350  1.0
  O  O13  1  0.187  0.760  0.078  1.0
[/CIF]
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The material described by LiFeSiO4 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. 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 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 Fe(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 planar geometry to one Li(1), one Fe(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped 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   5.477
_cell_length_b   5.477
_cell_length_c   9.109
_cell_angle_alpha   63.354
_cell_angle_beta   63.354
_cell_angle_gamma   53.158
_symmetry_Int_Tables_number   1
_cell_volume   189.186
_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  0.536  0.748  0.867  1.0
  Li  Li1  1  0.748  0.536  0.367  1.0
  Fe  Fe2  1  0.492  0.175  0.504  1.0
  Fe  Fe3  1  0.175  0.492  0.004  1.0
  Si  Si4  1  0.855  0.109  0.747  1.0
  Si  Si5  1  0.109  0.855  0.247  1.0
  O  O6  1  0.196  0.086  0.694  1.0
  O  O7  1  0.868  0.773  0.875  1.0
  O  O8  1  0.578  0.384  0.850  1.0
  O  O9  1  0.760  0.187  0.578  1.0
  O  O10  1  0.086  0.196  0.194  1.0
  O  O11  1  0.773  0.868  0.375  1.0
  O  O12  1  0.384  0.578  0.350  1.0
  O  O13  1  0.187  0.760  0.078  1.0
[/CIF]
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