The compound described by LiFeSiO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Fe(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Fe(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 Si(1)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. 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 and corners with four equivalent Li(1)O4 trigonal pyramids. 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 distorted T-shaped 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 trigonal non-coplanar 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 planar geometry to one Li(1), one Fe(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.267
_cell_length_b   5.972
_cell_length_c   11.360
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.265
_cell_formula_units_Z   4
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  0.691  0.015  0.832  1.0
  Li  Li1  1  0.809  0.015  0.332  1.0
  Li  Li2  1  0.309  0.515  0.168  1.0
  Li  Li3  1  0.191  0.515  0.668  1.0
  Fe  Fe4  1  0.686  0.242  0.076  1.0
  Fe  Fe5  1  0.314  0.742  0.924  1.0
  Fe  Fe6  1  0.186  0.742  0.424  1.0
  Fe  Fe7  1  0.814  0.242  0.576  1.0
  Si  Si8  1  0.186  0.249  0.914  1.0
  Si  Si9  1  0.814  0.749  0.086  1.0
  Si  Si10  1  0.686  0.749  0.586  1.0
  Si  Si11  1  0.314  0.249  0.414  1.0
  O  O12  1  0.878  0.226  0.936  1.0
  O  O13  1  0.122  0.726  0.064  1.0
  O  O14  1  0.378  0.726  0.564  1.0
  O  O15  1  0.622  0.226  0.436  1.0
  O  O16  1  0.333  0.272  0.042  1.0
  O  O17  1  0.667  0.772  0.958  1.0
  O  O18  1  0.833  0.772  0.458  1.0
  O  O19  1  0.167  0.272  0.542  1.0
  O  O20  1  0.289  0.024  0.846  1.0
  O  O21  1  0.753  0.976  0.165  1.0
  O  O22  1  0.747  0.976  0.665  1.0
  O  O23  1  0.211  0.024  0.346  1.0
  O  O24  1  0.711  0.524  0.154  1.0
  O  O25  1  0.247  0.476  0.835  1.0
  O  O26  1  0.253  0.476  0.335  1.0
  O  O27  1  0.789  0.524  0.654  1.0
[/CIF]
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The compound described by LiFeSiO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Fe(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Fe(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 Si(1)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. 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 and corners with four equivalent Li(1)O4 trigonal pyramids. 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 distorted T-shaped 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 trigonal non-coplanar 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 planar geometry to one Li(1), one Fe(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.267
_cell_length_b   5.972
_cell_length_c   11.360
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.265
_cell_formula_units_Z   4
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  0.691  0.015  0.832  1.0
  Li  Li1  1  0.809  0.015  0.332  1.0
  Li  Li2  1  0.309  0.515  0.168  1.0
  Li  Li3  1  0.191  0.515  0.668  1.0
  Fe  Fe4  1  0.686  0.242  0.076  1.0
  Fe  Fe5  1  0.314  0.742  0.924  1.0
  Fe  Fe6  1  0.186  0.742  0.424  1.0
  Fe  Fe7  1  0.814  0.242  0.576  1.0
  Si  Si8  1  0.186  0.249  0.914  1.0
  Si  Si9  1  0.814  0.749  0.086  1.0
  Si  Si10  1  0.686  0.749  0.586  1.0
  Si  Si11  1  0.314  0.249  0.414  1.0
  O  O12  1  0.878  0.226  0.936  1.0
  O  O13  1  0.122  0.726  0.064  1.0
  O  O14  1  0.378  0.726  0.564  1.0
  O  O15  1  0.622  0.226  0.436  1.0
  O  O16  1  0.333  0.272  0.042  1.0
  O  O17  1  0.667  0.772  0.958  1.0
  O  O18  1  0.833  0.772  0.458  1.0
  O  O19  1  0.167  0.272  0.542  1.0
  O  O20  1  0.289  0.024  0.846  1.0
  O  O21  1  0.753  0.976  0.165  1.0
  O  O22  1  0.747  0.976  0.665  1.0
  O  O23  1  0.211  0.024  0.346  1.0
  O  O24  1  0.711  0.524  0.154  1.0
  O  O25  1  0.247  0.476  0.835  1.0
  O  O26  1  0.253  0.476  0.335  1.0
  O  O27  1  0.789  0.524  0.654  1.0
[/CIF]
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