The material structure described by Li2Fe2SiO6 crystallizes in the orthorhombic C222 space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted FeO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Li(1)O4 trigonal pyramids. Si(1) is bonded to four equivalent O(2) atoms 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 two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and two equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing OLi2Fe2 trigonal pyramids. 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe2SiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.353
_cell_length_b   5.525
_cell_length_c   6.066
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.978
_symmetry_Int_Tables_number   1
_cell_volume   156.924
_cell_formula_units_Z   1
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
  Fe  Fe0  1  1.000  0.500  0.670  1.0
  Fe  Fe1  1  0.500  0.500  0.330  1.0
  Li  Li2  1  0.000  1.000  0.283  1.0
  Li  Li3  1  0.000  1.000  0.717  1.0
  O  O4  1  0.834  0.668  0.500  1.0
  O  O5  1  0.166  0.332  0.500  1.0
  O  O6  1  0.780  0.183  0.845  1.0
  O  O7  1  0.402  0.183  0.155  1.0
  O  O8  1  0.598  0.817  0.155  1.0
  O  O9  1  0.220  0.817  0.845  1.0
  Si  Si10  1  0.500  1.000  1.000  1.0
[/CIF]
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The material structure described by Li2Fe2SiO6 crystallizes in the orthorhombic C222 space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted FeO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Li(1)O4 trigonal pyramids. Si(1) is bonded to four equivalent O(2) atoms 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 two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and two equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing OLi2Fe2 trigonal pyramids. 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe2SiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.353
_cell_length_b   5.525
_cell_length_c   6.066
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.978
_symmetry_Int_Tables_number   1
_cell_volume   156.924
_cell_formula_units_Z   1
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
  Fe  Fe0  1  1.000  0.500  0.670  1.0
  Fe  Fe1  1  0.500  0.500  0.330  1.0
  Li  Li2  1  0.000  1.000  0.283  1.0
  Li  Li3  1  0.000  1.000  0.717  1.0
  O  O4  1  0.834  0.668  0.500  1.0
  O  O5  1  0.166  0.332  0.500  1.0
  O  O6  1  0.780  0.183  0.845  1.0
  O  O7  1  0.402  0.183  0.155  1.0
  O  O8  1  0.598  0.817  0.155  1.0
  O  O9  1  0.220  0.817  0.845  1.0
  Si  Si10  1  0.500  1.000  1.000  1.0
[/CIF]
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