The compound described by LiFe2SiO4 crystallizes in the orthorhombic Pmn2_1 space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Fe(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Fe(1), and one Si(1) atom to form corner-sharing OLiFe2Si tetrahedra. In the third O site, O(3) is bonded to one Li(1), two equivalent Fe(1), and one Si(1) atom to form distorted corner-sharing OLiFe2Si trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFe2SiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.101
_cell_length_b   5.739
_cell_length_c   6.314
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   184.808
_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  0.492  0.335  0.000  1.0
  Li  Li1  1  0.992  0.665  0.500  1.0
  Fe  Fe2  1  0.454  0.861  0.233  1.0
  Fe  Fe3  1  0.954  0.139  0.267  1.0
  Fe  Fe4  1  0.954  0.139  0.733  1.0
  Fe  Fe5  1  0.454  0.861  0.767  1.0
  Si  Si6  1  0.001  0.649  0.000  1.0
  Si  Si7  1  0.501  0.351  0.500  1.0
  O  O8  1  0.908  0.796  0.213  1.0
  O  O9  1  0.408  0.204  0.287  1.0
  O  O10  1  0.408  0.204  0.713  1.0
  O  O11  1  0.908  0.796  0.787  1.0
  O  O12  1  0.327  0.636  0.000  1.0
  O  O13  1  0.827  0.364  0.500  1.0
  O  O14  1  0.885  0.381  0.000  1.0
  O  O15  1  0.385  0.619  0.500  1.0
[/CIF]
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The compound described by LiFe2SiO4 crystallizes in the orthorhombic Pmn2_1 space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Fe(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Fe(1), and one Si(1) atom to form corner-sharing OLiFe2Si tetrahedra. In the third O site, O(3) is bonded to one Li(1), two equivalent Fe(1), and one Si(1) atom to form distorted corner-sharing OLiFe2Si trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFe2SiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.101
_cell_length_b   5.739
_cell_length_c   6.314
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   184.808
_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  0.492  0.335  0.000  1.0
  Li  Li1  1  0.992  0.665  0.500  1.0
  Fe  Fe2  1  0.454  0.861  0.233  1.0
  Fe  Fe3  1  0.954  0.139  0.267  1.0
  Fe  Fe4  1  0.954  0.139  0.733  1.0
  Fe  Fe5  1  0.454  0.861  0.767  1.0
  Si  Si6  1  0.001  0.649  0.000  1.0
  Si  Si7  1  0.501  0.351  0.500  1.0
  O  O8  1  0.908  0.796  0.213  1.0
  O  O9  1  0.408  0.204  0.287  1.0
  O  O10  1  0.408  0.204  0.713  1.0
  O  O11  1  0.908  0.796  0.787  1.0
  O  O12  1  0.327  0.636  0.000  1.0
  O  O13  1  0.827  0.364  0.500  1.0
  O  O14  1  0.885  0.381  0.000  1.0
  O  O15  1  0.385  0.619  0.500  1.0
[/CIF]
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