The crystal structure described by Li4Fe3SbO8 is beta Polonium-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the third Li site, Li(3) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. Sb(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(2), one Fe(2), and two equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share corners with six equivalent O(1)Li3Fe3 octahedra, edges with four equivalent O(3)Li3Fe2Sb octahedra, and edges with eight equivalent O(2)Li3Fe2Sb octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Fe(1), one Fe(2), and one Sb(1) atom to form OLi3Fe2Sb octahedra that share corners with six equivalent O(2)Li3Fe2Sb octahedra, edges with four equivalent O(2)Li3Fe2Sb octahedra, edges with four equivalent O(3)Li3Fe2Sb octahedra, and edges with four equivalent O(1)Li3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), two equivalent Fe(1), and one Sb(1) atom to form OLi3Fe2Sb octahedra that share corners with six equivalent O(3)Li3Fe2Sb octahedra, edges with four equivalent O(1)Li3Fe3 octahedra, and edges with eight equivalent O(2)Li3Fe2Sb octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li4Fe3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.061
_cell_length_b   6.061
_cell_length_c   6.101
_cell_angle_alpha   61.016
_cell_angle_beta   61.016
_cell_angle_gamma   60.563
_symmetry_Int_Tables_number   1
_cell_volume   161.567
_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
  Li  Li0  1  0.500  0.500  0.000  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  Fe  Fe4  1  0.500  0.000  0.000  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
  Fe  Fe6  1  0.000  0.500  0.000  1.0
  Sb  Sb7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.267  0.267  0.750  1.0
  O  O9  1  0.754  0.238  0.273  1.0
  O  O10  1  0.769  0.769  0.728  1.0
  O  O11  1  0.733  0.733  0.250  1.0
  O  O12  1  0.238  0.754  0.273  1.0
  O  O13  1  0.246  0.762  0.727  1.0
  O  O14  1  0.231  0.231  0.272  1.0
  O  O15  1  0.762  0.246  0.727  1.0
[/CIF]
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The crystal structure described by Li4Fe3SbO8 is beta Polonium-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the third Li site, Li(3) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. Sb(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(2), one Fe(2), and two equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share corners with six equivalent O(1)Li3Fe3 octahedra, edges with four equivalent O(3)Li3Fe2Sb octahedra, and edges with eight equivalent O(2)Li3Fe2Sb octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Fe(1), one Fe(2), and one Sb(1) atom to form OLi3Fe2Sb octahedra that share corners with six equivalent O(2)Li3Fe2Sb octahedra, edges with four equivalent O(2)Li3Fe2Sb octahedra, edges with four equivalent O(3)Li3Fe2Sb octahedra, and edges with four equivalent O(1)Li3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), two equivalent Fe(1), and one Sb(1) atom to form OLi3Fe2Sb octahedra that share corners with six equivalent O(3)Li3Fe2Sb octahedra, edges with four equivalent O(1)Li3Fe3 octahedra, and edges with eight equivalent O(2)Li3Fe2Sb octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li4Fe3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.061
_cell_length_b   6.061
_cell_length_c   6.101
_cell_angle_alpha   61.016
_cell_angle_beta   61.016
_cell_angle_gamma   60.563
_symmetry_Int_Tables_number   1
_cell_volume   161.567
_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
  Li  Li0  1  0.500  0.500  0.000  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  Fe  Fe4  1  0.500  0.000  0.000  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
  Fe  Fe6  1  0.000  0.500  0.000  1.0
  Sb  Sb7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.267  0.267  0.750  1.0
  O  O9  1  0.754  0.238  0.273  1.0
  O  O10  1  0.769  0.769  0.728  1.0
  O  O11  1  0.733  0.733  0.250  1.0
  O  O12  1  0.238  0.754  0.273  1.0
  O  O13  1  0.246  0.762  0.727  1.0
  O  O14  1  0.231  0.231  0.272  1.0
  O  O15  1  0.762  0.246  0.727  1.0
[/CIF]
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