The crystal structure described by LiFe(Si2O5)2 crystallizes in the orthorhombic Pnc2 space group. Li(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra and corners with four equivalent Si(2)O4 tetrahedra. Fe(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-71°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Si(1) and one Si(2) 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 3-coordinate geometry to one Li(1), one Fe(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. is represented by the CIF file [CIF]
data_LiFe(Si2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.855
_cell_length_b   7.159
_cell_length_c   11.446
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   397.806
_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  0.500  0.500  0.277  1.0
  Li  Li1  1  0.500  0.000  0.777  1.0
  Fe  Fe2  1  0.000  0.500  0.384  1.0
  Fe  Fe3  1  0.000  0.000  0.884  1.0
  Si  Si4  1  0.038  0.214  0.170  1.0
  Si  Si5  1  0.038  0.286  0.670  1.0
  Si  Si6  1  0.456  0.713  0.012  1.0
  Si  Si7  1  0.456  0.787  0.512  1.0
  Si  Si8  1  0.544  0.213  0.512  1.0
  Si  Si9  1  0.544  0.287  0.012  1.0
  Si  Si10  1  0.962  0.714  0.670  1.0
  Si  Si11  1  0.962  0.786  0.170  1.0
  O  O12  1  0.000  0.000  0.215  1.0
  O  O13  1  0.000  0.500  0.715  1.0
  O  O14  1  0.234  0.206  0.050  1.0
  O  O15  1  0.234  0.294  0.550  1.0
  O  O16  1  0.177  0.159  0.770  1.0
  O  O17  1  0.177  0.341  0.270  1.0
  O  O18  1  0.311  0.652  0.417  1.0
  O  O19  1  0.311  0.848  0.917  1.0
  O  O20  1  0.267  0.703  0.132  1.0
  O  O21  1  0.267  0.797  0.632  1.0
  O  O22  1  0.500  0.500  0.965  1.0
  O  O23  1  0.500  0.000  0.465  1.0
  O  O24  1  0.733  0.203  0.632  1.0
  O  O25  1  0.733  0.297  0.132  1.0
  O  O26  1  0.689  0.348  0.417  1.0
  O  O27  1  0.689  0.152  0.917  1.0
  O  O28  1  0.823  0.841  0.770  1.0
  O  O29  1  0.823  0.659  0.270  1.0
  O  O30  1  0.766  0.706  0.550  1.0
  O  O31  1  0.766  0.794  0.050  1.0
[/CIF]
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The crystal structure described by LiFe(Si2O5)2 crystallizes in the orthorhombic Pnc2 space group. Li(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra and corners with four equivalent Si(2)O4 tetrahedra. Fe(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-71°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Si(1) and one Si(2) 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 3-coordinate geometry to one Li(1), one Fe(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. is represented by the CIF file [CIF]
data_LiFe(Si2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.855
_cell_length_b   7.159
_cell_length_c   11.446
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   397.806
_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  0.500  0.500  0.277  1.0
  Li  Li1  1  0.500  0.000  0.777  1.0
  Fe  Fe2  1  0.000  0.500  0.384  1.0
  Fe  Fe3  1  0.000  0.000  0.884  1.0
  Si  Si4  1  0.038  0.214  0.170  1.0
  Si  Si5  1  0.038  0.286  0.670  1.0
  Si  Si6  1  0.456  0.713  0.012  1.0
  Si  Si7  1  0.456  0.787  0.512  1.0
  Si  Si8  1  0.544  0.213  0.512  1.0
  Si  Si9  1  0.544  0.287  0.012  1.0
  Si  Si10  1  0.962  0.714  0.670  1.0
  Si  Si11  1  0.962  0.786  0.170  1.0
  O  O12  1  0.000  0.000  0.215  1.0
  O  O13  1  0.000  0.500  0.715  1.0
  O  O14  1  0.234  0.206  0.050  1.0
  O  O15  1  0.234  0.294  0.550  1.0
  O  O16  1  0.177  0.159  0.770  1.0
  O  O17  1  0.177  0.341  0.270  1.0
  O  O18  1  0.311  0.652  0.417  1.0
  O  O19  1  0.311  0.848  0.917  1.0
  O  O20  1  0.267  0.703  0.132  1.0
  O  O21  1  0.267  0.797  0.632  1.0
  O  O22  1  0.500  0.500  0.965  1.0
  O  O23  1  0.500  0.000  0.465  1.0
  O  O24  1  0.733  0.203  0.632  1.0
  O  O25  1  0.733  0.297  0.132  1.0
  O  O26  1  0.689  0.348  0.417  1.0
  O  O27  1  0.689  0.152  0.917  1.0
  O  O28  1  0.823  0.841  0.770  1.0
  O  O29  1  0.823  0.659  0.270  1.0
  O  O30  1  0.766  0.706  0.550  1.0
  O  O31  1  0.766  0.794  0.050  1.0
[/CIF]
.