The crystal structure described by Li2Fe3SbO8 is Spinel-derived structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra and corners with nine equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the second Li site, Li(2) is bonded to one O(4) and three equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. Fe(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Sb(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 50°. Sb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Fe(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Fe(1), and one Sb(1) atom. In the third O site, O(3) is bonded to one Li(1) and three equivalent Fe(1) atoms to form distorted corner-sharing OLiFe3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(2) and three equivalent Fe(1) atoms to form corner-sharing OLiFe3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.006
_cell_length_b   6.006
_cell_length_c   9.779
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   305.523
_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  0.333  0.667  0.903  1.0
  Li  Li1  1  0.000  0.000  0.989  1.0
  Li  Li2  1  0.000  0.000  0.489  1.0
  Li  Li3  1  0.667  0.333  0.403  1.0
  Fe  Fe4  1  0.170  0.830  0.213  1.0
  Fe  Fe5  1  0.170  0.341  0.213  1.0
  Fe  Fe6  1  0.659  0.830  0.213  1.0
  Fe  Fe7  1  0.341  0.170  0.713  1.0
  Fe  Fe8  1  0.830  0.659  0.713  1.0
  Fe  Fe9  1  0.830  0.170  0.713  1.0
  Sb  Sb10  1  0.333  0.667  0.486  1.0
  Sb  Sb11  1  0.667  0.333  0.986  1.0
  O  O12  1  0.168  0.832  0.595  1.0
  O  O13  1  0.037  0.518  0.347  1.0
  O  O14  1  0.333  0.667  0.107  1.0
  O  O15  1  0.000  0.000  0.302  1.0
  O  O16  1  0.000  0.000  0.802  1.0
  O  O17  1  0.168  0.335  0.595  1.0
  O  O18  1  0.482  0.963  0.347  1.0
  O  O19  1  0.482  0.518  0.347  1.0
  O  O20  1  0.335  0.168  0.095  1.0
  O  O21  1  0.665  0.832  0.595  1.0
  O  O22  1  0.518  0.482  0.847  1.0
  O  O23  1  0.518  0.037  0.847  1.0
  O  O24  1  0.667  0.333  0.607  1.0
  O  O25  1  0.832  0.665  0.095  1.0
  O  O26  1  0.963  0.482  0.847  1.0
  O  O27  1  0.832  0.168  0.095  1.0
[/CIF]
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The crystal structure described by Li2Fe3SbO8 is Spinel-derived structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra and corners with nine equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the second Li site, Li(2) is bonded to one O(4) and three equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. Fe(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Sb(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 50°. Sb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Fe(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Fe(1), and one Sb(1) atom. In the third O site, O(3) is bonded to one Li(1) and three equivalent Fe(1) atoms to form distorted corner-sharing OLiFe3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(2) and three equivalent Fe(1) atoms to form corner-sharing OLiFe3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.006
_cell_length_b   6.006
_cell_length_c   9.779
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   305.523
_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  0.333  0.667  0.903  1.0
  Li  Li1  1  0.000  0.000  0.989  1.0
  Li  Li2  1  0.000  0.000  0.489  1.0
  Li  Li3  1  0.667  0.333  0.403  1.0
  Fe  Fe4  1  0.170  0.830  0.213  1.0
  Fe  Fe5  1  0.170  0.341  0.213  1.0
  Fe  Fe6  1  0.659  0.830  0.213  1.0
  Fe  Fe7  1  0.341  0.170  0.713  1.0
  Fe  Fe8  1  0.830  0.659  0.713  1.0
  Fe  Fe9  1  0.830  0.170  0.713  1.0
  Sb  Sb10  1  0.333  0.667  0.486  1.0
  Sb  Sb11  1  0.667  0.333  0.986  1.0
  O  O12  1  0.168  0.832  0.595  1.0
  O  O13  1  0.037  0.518  0.347  1.0
  O  O14  1  0.333  0.667  0.107  1.0
  O  O15  1  0.000  0.000  0.302  1.0
  O  O16  1  0.000  0.000  0.802  1.0
  O  O17  1  0.168  0.335  0.595  1.0
  O  O18  1  0.482  0.963  0.347  1.0
  O  O19  1  0.482  0.518  0.347  1.0
  O  O20  1  0.335  0.168  0.095  1.0
  O  O21  1  0.665  0.832  0.595  1.0
  O  O22  1  0.518  0.482  0.847  1.0
  O  O23  1  0.518  0.037  0.847  1.0
  O  O24  1  0.667  0.333  0.607  1.0
  O  O25  1  0.832  0.665  0.095  1.0
  O  O26  1  0.963  0.482  0.847  1.0
  O  O27  1  0.832  0.168  0.095  1.0
[/CIF]
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