The material described by Li5Fe3(SbO5)2 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. 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(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Sb(1)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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the second Fe site, Fe(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. Sb(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form SbO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), two equivalent Fe(2), and one Sb(1) atom to form OLi2Fe3Sb octahedra that share  a cornercorner with one O(1)Li2Fe3Sb octahedra,  a cornercorner with one O(2)Li2Fe3Sb octahedra,  a cornercorner with one O(4)Li3Fe2Sb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(5)Li4FeSb octahedra,  an edgeedge with one O(1)Li2Fe3Sb octahedra, edges with two equivalent O(5)Li4FeSb octahedra, edges with two equivalent O(3)Li4Sb2 octahedra, edges with three equivalent O(4)Li3Fe2Sb octahedra, and edges with four equivalent O(2)Li2Fe3Sb octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to two equivalent Li(2), one Fe(1), two equivalent Fe(2), and one Sb(1) atom to form OLi2Fe3Sb octahedra that share  a cornercorner with one O(1)Li2Fe3Sb octahedra,  a cornercorner with one O(2)Li2Fe3Sb octahedra,  a cornercorner with one O(4)Li3Fe2Sb octahedra,  a cornercorner with one O(5)Li4FeSb octahedra, corners with two equivalent O(3)Li4Sb2 octahedra,  an edgeedge with one O(3)Li4Sb2 octahedra, edges with two equivalent O(2)Li2Fe3Sb octahedra, edges with two equivalent O(5)Li4FeSb octahedra, edges with three equivalent O(4)Li3Fe2Sb octahedra, and edges with four equivalent O(1)Li2Fe3Sb octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Sb(1) atoms to form OLi4Sb2 octahedra that share  a cornercorner with one O(1)Li2Fe3Sb octahedra,  a cornercorner with one O(4)Li3Fe2Sb octahedra,  a cornercorner with one O(5)Li4FeSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(2)Li2Fe3Sb octahedra,  an edgeedge with one O(2)Li2Fe3Sb octahedra, edges with two equivalent O(1)Li2Fe3Sb octahedra, edges with two equivalent O(3)Li4Sb2 octahedra, edges with three equivalent O(4)Li3Fe2Sb octahedra, and edges with four equivalent O(5)Li4FeSb octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the fourth O site, O(4) 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  a cornercorner with one O(1)Li2Fe3Sb octahedra,  a cornercorner with one O(2)Li2Fe3Sb octahedra,  a cornercorner with one O(5)Li4FeSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(4)Li3Fe2Sb octahedra, edges with three equivalent O(1)Li2Fe3Sb octahedra, edges with three equivalent O(2)Li2Fe3Sb octahedra, edges with three equivalent O(5)Li4FeSb octahedra, and edges with three equivalent O(3)Li4Sb2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Fe(2), and one Sb(1) atom to form OLi4FeSb octahedra that share  a cornercorner with one O(2)Li2Fe3Sb octahedra,  a cornercorner with one O(4)Li3Fe2Sb octahedra,  a cornercorner with one O(5)Li4FeSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(1)Li2Fe3Sb octahedra,  an edgeedge with one O(5)Li4FeSb octahedra, edges with two equivalent O(1)Li2Fe3Sb octahedra, edges with two equivalent O(2)Li2Fe3Sb octahedra, edges with three equivalent O(4)Li3Fe2Sb octahedra, and edges with four equivalent O(3)Li4Sb2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the CIF card [CIF]
data_Li5Fe3(SbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.365
_cell_length_b   5.356
_cell_length_c   8.245
_cell_angle_alpha   108.107
_cell_angle_beta   102.692
_cell_angle_gamma   100.703
_symmetry_Int_Tables_number   1
_cell_volume   211.300
_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  0.230  0.895  0.398  1.0
  Li  Li1  1  0.411  0.299  0.795  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.589  0.701  0.205  1.0
  Li  Li4  1  0.770  0.105  0.602  1.0
  Fe  Fe5  1  0.000  0.500  0.000  1.0
  Fe  Fe6  1  0.702  0.899  0.898  1.0
  Fe  Fe7  1  0.298  0.101  0.102  1.0
  Sb  Sb8  1  0.110  0.710  0.700  1.0
  Sb  Sb9  1  0.890  0.290  0.300  1.0
  O  O10  1  0.055  0.080  0.843  1.0
  O  O11  1  0.342  0.699  0.936  1.0
  O  O12  1  0.139  0.327  0.546  1.0
  O  O13  1  0.217  0.487  0.241  1.0
  O  O14  1  0.443  0.901  0.656  1.0
  O  O15  1  0.557  0.099  0.344  1.0
  O  O16  1  0.783  0.513  0.759  1.0
  O  O17  1  0.861  0.673  0.454  1.0
  O  O18  1  0.658  0.301  0.064  1.0
  O  O19  1  0.945  0.920  0.157  1.0
[/CIF]
.
The material described by Li5Fe3(SbO5)2 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. 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(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Sb(1)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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the second Fe site, Fe(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. Sb(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form SbO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), two equivalent Fe(2), and one Sb(1) atom to form OLi2Fe3Sb octahedra that share  a cornercorner with one O(1)Li2Fe3Sb octahedra,  a cornercorner with one O(2)Li2Fe3Sb octahedra,  a cornercorner with one O(4)Li3Fe2Sb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(5)Li4FeSb octahedra,  an edgeedge with one O(1)Li2Fe3Sb octahedra, edges with two equivalent O(5)Li4FeSb octahedra, edges with two equivalent O(3)Li4Sb2 octahedra, edges with three equivalent O(4)Li3Fe2Sb octahedra, and edges with four equivalent O(2)Li2Fe3Sb octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to two equivalent Li(2), one Fe(1), two equivalent Fe(2), and one Sb(1) atom to form OLi2Fe3Sb octahedra that share  a cornercorner with one O(1)Li2Fe3Sb octahedra,  a cornercorner with one O(2)Li2Fe3Sb octahedra,  a cornercorner with one O(4)Li3Fe2Sb octahedra,  a cornercorner with one O(5)Li4FeSb octahedra, corners with two equivalent O(3)Li4Sb2 octahedra,  an edgeedge with one O(3)Li4Sb2 octahedra, edges with two equivalent O(2)Li2Fe3Sb octahedra, edges with two equivalent O(5)Li4FeSb octahedra, edges with three equivalent O(4)Li3Fe2Sb octahedra, and edges with four equivalent O(1)Li2Fe3Sb octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Sb(1) atoms to form OLi4Sb2 octahedra that share  a cornercorner with one O(1)Li2Fe3Sb octahedra,  a cornercorner with one O(4)Li3Fe2Sb octahedra,  a cornercorner with one O(5)Li4FeSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(2)Li2Fe3Sb octahedra,  an edgeedge with one O(2)Li2Fe3Sb octahedra, edges with two equivalent O(1)Li2Fe3Sb octahedra, edges with two equivalent O(3)Li4Sb2 octahedra, edges with three equivalent O(4)Li3Fe2Sb octahedra, and edges with four equivalent O(5)Li4FeSb octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the fourth O site, O(4) 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  a cornercorner with one O(1)Li2Fe3Sb octahedra,  a cornercorner with one O(2)Li2Fe3Sb octahedra,  a cornercorner with one O(5)Li4FeSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(4)Li3Fe2Sb octahedra, edges with three equivalent O(1)Li2Fe3Sb octahedra, edges with three equivalent O(2)Li2Fe3Sb octahedra, edges with three equivalent O(5)Li4FeSb octahedra, and edges with three equivalent O(3)Li4Sb2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Fe(2), and one Sb(1) atom to form OLi4FeSb octahedra that share  a cornercorner with one O(2)Li2Fe3Sb octahedra,  a cornercorner with one O(4)Li3Fe2Sb octahedra,  a cornercorner with one O(5)Li4FeSb octahedra,  a cornercorner with one O(3)Li4Sb2 octahedra, corners with two equivalent O(1)Li2Fe3Sb octahedra,  an edgeedge with one O(5)Li4FeSb octahedra, edges with two equivalent O(1)Li2Fe3Sb octahedra, edges with two equivalent O(2)Li2Fe3Sb octahedra, edges with three equivalent O(4)Li3Fe2Sb octahedra, and edges with four equivalent O(3)Li4Sb2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the CIF card [CIF]
data_Li5Fe3(SbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.365
_cell_length_b   5.356
_cell_length_c   8.245
_cell_angle_alpha   108.107
_cell_angle_beta   102.692
_cell_angle_gamma   100.703
_symmetry_Int_Tables_number   1
_cell_volume   211.300
_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  0.230  0.895  0.398  1.0
  Li  Li1  1  0.411  0.299  0.795  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.589  0.701  0.205  1.0
  Li  Li4  1  0.770  0.105  0.602  1.0
  Fe  Fe5  1  0.000  0.500  0.000  1.0
  Fe  Fe6  1  0.702  0.899  0.898  1.0
  Fe  Fe7  1  0.298  0.101  0.102  1.0
  Sb  Sb8  1  0.110  0.710  0.700  1.0
  Sb  Sb9  1  0.890  0.290  0.300  1.0
  O  O10  1  0.055  0.080  0.843  1.0
  O  O11  1  0.342  0.699  0.936  1.0
  O  O12  1  0.139  0.327  0.546  1.0
  O  O13  1  0.217  0.487  0.241  1.0
  O  O14  1  0.443  0.901  0.656  1.0
  O  O15  1  0.557  0.099  0.344  1.0
  O  O16  1  0.783  0.513  0.759  1.0
  O  O17  1  0.861  0.673  0.454  1.0
  O  O18  1  0.658  0.301  0.064  1.0
  O  O19  1  0.945  0.920  0.157  1.0
[/CIF]
.