The structure described by Li8Nb(FeO4)3 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(3), one O(4), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  a faceface with one Li(7)O6 octahedra, and  a faceface with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. In the second Li site, Li(2) is bonded to one O(12), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  a faceface with one Li(8)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-54°. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Li(7)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  a faceface with one Li(5)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-53°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Li(8)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra,  a faceface with one Li(6)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(11), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Li(8)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra,  a faceface with one Li(3)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. In the sixth Li site, Li(6) is bonded to one O(10), one O(12), one O(2), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  a faceface with one Li(4)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-53°. In the seventh Li site, Li(7) is bonded to one O(1), one O(11), one O(12), one O(3), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Li(8)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. In the eighth Li site, Li(8) is bonded to one O(10), one O(11), one O(12), one O(2), one O(4), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  a faceface with one Li(2)O6 octahedra, and  a faceface with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. Nb(1) is bonded to one O(10), one O(11), one O(4), one O(5), one O(7), and one O(8) atom to form NbO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(2), one O(3), one O(6), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(8)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra,  a faceface with one Li(3)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the second Fe site, Fe(2) is bonded to one O(12), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra,  a faceface with one Li(2)O6 octahedra, and  a faceface with one Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. In the third Fe site, Fe(3) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra,  a faceface with one Li(4)O6 octahedra, and  a faceface with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Fe(1), and one Fe(3) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(2)Li4Fe2 pentagonal pyramids, corners with two equivalent O(9)Li4Fe2 pentagonal pyramids, corners with two equivalent O(5)Li4NbFe pentagonal pyramids,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(9)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(10)Li4NbFe pentagonal pyramid,  an edgeedge with one O(4)Li4NbFe pentagonal pyramid,  an edgeedge with one O(5)Li4NbFe pentagonal pyramid, edges with two equivalent O(3)Li4Fe2 pentagonal pyramids, edges with two equivalent O(11)Li4NbFe pentagonal pyramids, and edges with two equivalent O(7)Li4NbFe pentagonal pyramids. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(6), one Li(8), one Fe(1), and one Fe(3) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(1)Li4Fe2 pentagonal pyramids, corners with two equivalent O(6)Li4Fe2 pentagonal pyramids, corners with two equivalent O(10)Li4NbFe pentagonal pyramids,  an edgeedge with one O(3)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(9)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(10)Li4NbFe pentagonal pyramid,  an edgeedge with one O(11)Li4NbFe pentagonal pyramid,  an edgeedge with one O(5)Li4NbFe pentagonal pyramid, edges with two equivalent O(12)Li4Fe2 pentagonal pyramids, edges with two equivalent O(4)Li4NbFe pentagonal pyramids, and edges with two equivalent O(8)Li4NbFe pentagonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(7), one Fe(1), and one Fe(2) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(12)Li4Fe2 pentagonal pyramids, corners with two equivalent O(4)Li4NbFe pentagonal pyramids, corners with two equivalent O(7)Li4NbFe pentagonal pyramids,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(11)Li4NbFe pentagonal pyramid,  an edgeedge with one O(5)Li4NbFe pentagonal pyramid,  an edgeedge with one O(7)Li4NbFe pentagonal pyramid,  an edgeedge with one O(8)Li4NbFe pentagonal pyramid, edges with two equivalent O(1)Li4Fe2 pentagonal pyramids, edges with two equivalent O(6)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(9)Li4Fe2 pentagonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Li(8), one Nb(1), and one Fe(3) atom to form distorted OLi4NbFe pentagonal pyramids that share corners with two equivalent O(3)Li4Fe2 pentagonal pyramids, corners with two equivalent O(11)Li4NbFe pentagonal pyramids, corners with two equivalent O(8)Li4NbFe pentagonal pyramids,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(11)Li4NbFe pentagonal pyramid,  an edgeedge with one O(7)Li4NbFe pentagonal pyramid,  an edgeedge with one O(8)Li4NbFe pentagonal pyramid, edges with two equivalent O(2)Li4Fe2 pentagonal pyramids, edges with two equivalent O(10)Li4NbFe pentagonal pyramids, and edges with two equivalent O(5)Li4NbFe pentagonal pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Nb(1), and one Fe(3) atom to form distorted OLi4NbFe pentagonal pyramids that share corners with two equivalent O(1)Li4Fe2 pentagonal pyramids, corners with two equivalent O(6)Li4Fe2 pentagonal pyramids, corners with two equivalent O(10)Li4NbFe pentagonal pyramids,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(3)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(9)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(10)Li4NbFe pentagonal pyramid,  an edgeedge with one O(8)Li4NbFe pentagonal pyramid, edges with two equivalent O(11)Li4NbFe pentagonal pyramids, edges with two equivalent O(4)Li4NbFe pentagonal pyramids, and edges with two equivalent O(7)Li4NbFe pentagonal pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Li(4), one Li(6), one Fe(1), and one Fe(2) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(2)Li4Fe2 pentagonal pyramids, corners with two equivalent O(9)Li4Fe2 pentagonal pyramids, corners with two equivalent O(5)Li4NbFe pentagonal pyramids,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(9)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(10)Li4NbFe pentagonal pyramid,  an edgeedge with one O(4)Li4NbFe pentagonal pyramid,  an edgeedge with one O(7)Li4NbFe pentagonal pyramid, edges with two equivalent O(12)Li4Fe2 pentagonal pyramids, edges with two equivalent O(3)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(8)Li4NbFe pentagonal pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Nb(1), and one Fe(2) atom to form distorted OLi4NbFe pentagonal pyramids that share corners with two equivalent O(3)Li4Fe2 pentagonal pyramids, corners with two equivalent O(11)Li4NbFe pentagonal pyramids, corners with two equivalent O(8)Li4NbFe pentagonal pyramids,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(3)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(10)Li4NbFe pentagonal pyramid,  an edgeedge with one O(11)Li4NbFe pentagonal pyramid,  an edgeedge with one O(4)Li4NbFe pentagonal pyramid, edges with two equivalent O(1)Li4Fe2 pentagonal pyramids, edges with two equivalent O(9)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(5)Li4NbFe pentagonal pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(6), one Li(8), one Nb(1), and one Fe(2) atom to form distorted OLi4NbFe pentagonal pyramids that share corners with two equivalent O(12)Li4Fe2 pentagonal pyramids, corners with two equivalent O(4)Li4NbFe pentagonal pyramids, corners with two equivalent O(7)Li4NbFe pentagonal pyramids,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(3)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(9)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(11)Li4NbFe pentagonal pyramid,  an edgeedge with one O(4)Li4NbFe pentagonal pyramid,  an edgeedge with one O(5)Li4NbFe pentagonal pyramid, edges with two equivalent O(2)Li4Fe2 pentagonal pyramids, edges with two equivalent O(6)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(10)Li4NbFe pentagonal pyramids. In the ninth O site, O(9) is bonded to one Li(3), one Li(5), one Li(6), one Li(7), one Fe(1), and one Fe(2) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(1)Li4Fe2 pentagonal pyramids, corners with two equivalent O(6)Li4Fe2 pentagonal pyramids, corners with two equivalent O(10)Li4NbFe pentagonal pyramids,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(11)Li4NbFe pentagonal pyramid,  an edgeedge with one O(5)Li4NbFe pentagonal pyramid,  an edgeedge with one O(8)Li4NbFe pentagonal pyramid, edges with two equivalent O(12)Li4Fe2 pentagonal pyramids, edges with two equivalent O(3)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(7)Li4NbFe pentagonal pyramids. In the tenth O site, O(10) is bonded to one Li(4), one Li(5), one Li(6), one Li(8), one Nb(1), and one Fe(3) atom to form distorted OLi4NbFe pentagonal pyramids that share corners with two equivalent O(2)Li4Fe2 pentagonal pyramids, corners with two equivalent O(9)Li4Fe2 pentagonal pyramids, corners with two equivalent O(5)Li4NbFe pentagonal pyramids,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(5)Li4NbFe pentagonal pyramid,  an edgeedge with one O(7)Li4NbFe pentagonal pyramid, edges with two equivalent O(11)Li4NbFe pentagonal pyramids, edges with two equivalent O(4)Li4NbFe pentagonal pyramids, and edges with two equivalent O(8)Li4NbFe pentagonal pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(5), one Li(7), one Li(8), one Nb(1), and one Fe(3) atom to form distorted OLi4NbFe pentagonal pyramids that share corners with two equivalent O(12)Li4Fe2 pentagonal pyramids, corners with two equivalent O(4)Li4NbFe pentagonal pyramids, corners with two equivalent O(7)Li4NbFe pentagonal pyramids,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(3)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(9)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(4)Li4NbFe pentagonal pyramid,  an edgeedge with one O(7)Li4NbFe pentagonal pyramid,  an edgeedge with one O(8)Li4NbFe pentagonal pyramid, edges with two equivalent O(1)Li4Fe2 pentagonal pyramids, edges with two equivalent O(10)Li4NbFe pentagonal pyramids, and edges with two equivalent O(5)Li4NbFe pentagonal pyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Li(6), one Li(7), one Li(8), one Fe(1), and one Fe(2) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(3)Li4Fe2 pentagonal pyramids, corners with two equivalent O(11)Li4NbFe pentagonal pyramids, corners with two equivalent O(8)Li4NbFe pentagonal pyramids,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(3)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(10)Li4NbFe pentagonal pyramid,  an edgeedge with one O(4)Li4NbFe pentagonal pyramid,  an edgeedge with one O(7)Li4NbFe pentagonal pyramid,  an edgeedge with one O(8)Li4NbFe pentagonal pyramid, edges with two equivalent O(2)Li4Fe2 pentagonal pyramids, edges with two equivalent O(6)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(9)Li4Fe2 pentagonal pyramids. is represented by the CIF card [CIF]
data_Li8Nb(FeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.003
_cell_length_b   5.688
_cell_length_c   7.581
_cell_angle_alpha   80.348
_cell_angle_beta   90.066
_cell_angle_gamma   90.038
_symmetry_Int_Tables_number   1
_cell_volume   212.691
_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  0.494  0.160  0.329  1.0
  Li  Li1  1  0.498  0.167  0.848  1.0
  Li  Li2  1  0.995  0.364  0.181  1.0
  Li  Li3  1  0.999  0.357  0.695  1.0
  Li  Li4  1  0.002  0.681  0.325  1.0
  Li  Li5  1  0.006  0.676  0.837  1.0
  Li  Li6  1  0.501  0.873  0.171  1.0
  Li  Li7  1  0.504  0.878  0.692  1.0
  Nb  Nb8  1  0.501  0.520  0.509  1.0
  Fe  Fe9  1  1.000  0.019  0.010  1.0
  Fe  Fe10  1  0.500  0.519  0.010  1.0
  Fe  Fe11  1  0.999  0.020  0.510  1.0
  O  O12  1  0.856  0.016  0.253  1.0
  O  O13  1  0.143  0.023  0.766  1.0
  O  O14  1  0.313  0.196  0.081  1.0
  O  O15  1  0.674  0.196  0.582  1.0
  O  O16  1  0.176  0.345  0.439  1.0
  O  O17  1  0.821  0.331  0.939  1.0
  O  O18  1  0.642  0.517  0.260  1.0
  O  O19  1  0.359  0.521  0.760  1.0
  O  O20  1  0.179  0.708  0.080  1.0
  O  O21  1  0.825  0.693  0.581  1.0
  O  O22  1  0.326  0.841  0.437  1.0
  O  O23  1  0.686  0.842  0.939  1.0
[/CIF]
.
The structure described by Li8Nb(FeO4)3 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(3), one O(4), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  a faceface with one Li(7)O6 octahedra, and  a faceface with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. In the second Li site, Li(2) is bonded to one O(12), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  a faceface with one Li(8)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-54°. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Li(7)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  a faceface with one Li(5)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-53°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Li(8)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra,  a faceface with one Li(6)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(11), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Li(8)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra,  a faceface with one Li(3)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. In the sixth Li site, Li(6) is bonded to one O(10), one O(12), one O(2), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  a faceface with one Li(4)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-53°. In the seventh Li site, Li(7) is bonded to one O(1), one O(11), one O(12), one O(3), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Li(8)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. In the eighth Li site, Li(8) is bonded to one O(10), one O(11), one O(12), one O(2), one O(4), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  a faceface with one Li(2)O6 octahedra, and  a faceface with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. Nb(1) is bonded to one O(10), one O(11), one O(4), one O(5), one O(7), and one O(8) atom to form NbO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(2), one O(3), one O(6), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(8)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(7)O6 octahedra,  a faceface with one Li(3)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the second Fe site, Fe(2) is bonded to one O(12), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra,  a faceface with one Li(2)O6 octahedra, and  a faceface with one Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. In the third Fe site, Fe(3) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra,  a faceface with one Li(4)O6 octahedra, and  a faceface with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Fe(1), and one Fe(3) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(2)Li4Fe2 pentagonal pyramids, corners with two equivalent O(9)Li4Fe2 pentagonal pyramids, corners with two equivalent O(5)Li4NbFe pentagonal pyramids,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(9)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(10)Li4NbFe pentagonal pyramid,  an edgeedge with one O(4)Li4NbFe pentagonal pyramid,  an edgeedge with one O(5)Li4NbFe pentagonal pyramid, edges with two equivalent O(3)Li4Fe2 pentagonal pyramids, edges with two equivalent O(11)Li4NbFe pentagonal pyramids, and edges with two equivalent O(7)Li4NbFe pentagonal pyramids. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(6), one Li(8), one Fe(1), and one Fe(3) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(1)Li4Fe2 pentagonal pyramids, corners with two equivalent O(6)Li4Fe2 pentagonal pyramids, corners with two equivalent O(10)Li4NbFe pentagonal pyramids,  an edgeedge with one O(3)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(9)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(10)Li4NbFe pentagonal pyramid,  an edgeedge with one O(11)Li4NbFe pentagonal pyramid,  an edgeedge with one O(5)Li4NbFe pentagonal pyramid, edges with two equivalent O(12)Li4Fe2 pentagonal pyramids, edges with two equivalent O(4)Li4NbFe pentagonal pyramids, and edges with two equivalent O(8)Li4NbFe pentagonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(7), one Fe(1), and one Fe(2) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(12)Li4Fe2 pentagonal pyramids, corners with two equivalent O(4)Li4NbFe pentagonal pyramids, corners with two equivalent O(7)Li4NbFe pentagonal pyramids,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(11)Li4NbFe pentagonal pyramid,  an edgeedge with one O(5)Li4NbFe pentagonal pyramid,  an edgeedge with one O(7)Li4NbFe pentagonal pyramid,  an edgeedge with one O(8)Li4NbFe pentagonal pyramid, edges with two equivalent O(1)Li4Fe2 pentagonal pyramids, edges with two equivalent O(6)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(9)Li4Fe2 pentagonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), one Li(8), one Nb(1), and one Fe(3) atom to form distorted OLi4NbFe pentagonal pyramids that share corners with two equivalent O(3)Li4Fe2 pentagonal pyramids, corners with two equivalent O(11)Li4NbFe pentagonal pyramids, corners with two equivalent O(8)Li4NbFe pentagonal pyramids,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(11)Li4NbFe pentagonal pyramid,  an edgeedge with one O(7)Li4NbFe pentagonal pyramid,  an edgeedge with one O(8)Li4NbFe pentagonal pyramid, edges with two equivalent O(2)Li4Fe2 pentagonal pyramids, edges with two equivalent O(10)Li4NbFe pentagonal pyramids, and edges with two equivalent O(5)Li4NbFe pentagonal pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Nb(1), and one Fe(3) atom to form distorted OLi4NbFe pentagonal pyramids that share corners with two equivalent O(1)Li4Fe2 pentagonal pyramids, corners with two equivalent O(6)Li4Fe2 pentagonal pyramids, corners with two equivalent O(10)Li4NbFe pentagonal pyramids,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(3)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(9)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(10)Li4NbFe pentagonal pyramid,  an edgeedge with one O(8)Li4NbFe pentagonal pyramid, edges with two equivalent O(11)Li4NbFe pentagonal pyramids, edges with two equivalent O(4)Li4NbFe pentagonal pyramids, and edges with two equivalent O(7)Li4NbFe pentagonal pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Li(4), one Li(6), one Fe(1), and one Fe(2) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(2)Li4Fe2 pentagonal pyramids, corners with two equivalent O(9)Li4Fe2 pentagonal pyramids, corners with two equivalent O(5)Li4NbFe pentagonal pyramids,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(9)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(10)Li4NbFe pentagonal pyramid,  an edgeedge with one O(4)Li4NbFe pentagonal pyramid,  an edgeedge with one O(7)Li4NbFe pentagonal pyramid, edges with two equivalent O(12)Li4Fe2 pentagonal pyramids, edges with two equivalent O(3)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(8)Li4NbFe pentagonal pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Nb(1), and one Fe(2) atom to form distorted OLi4NbFe pentagonal pyramids that share corners with two equivalent O(3)Li4Fe2 pentagonal pyramids, corners with two equivalent O(11)Li4NbFe pentagonal pyramids, corners with two equivalent O(8)Li4NbFe pentagonal pyramids,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(3)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(10)Li4NbFe pentagonal pyramid,  an edgeedge with one O(11)Li4NbFe pentagonal pyramid,  an edgeedge with one O(4)Li4NbFe pentagonal pyramid, edges with two equivalent O(1)Li4Fe2 pentagonal pyramids, edges with two equivalent O(9)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(5)Li4NbFe pentagonal pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(6), one Li(8), one Nb(1), and one Fe(2) atom to form distorted OLi4NbFe pentagonal pyramids that share corners with two equivalent O(12)Li4Fe2 pentagonal pyramids, corners with two equivalent O(4)Li4NbFe pentagonal pyramids, corners with two equivalent O(7)Li4NbFe pentagonal pyramids,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(3)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(9)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(11)Li4NbFe pentagonal pyramid,  an edgeedge with one O(4)Li4NbFe pentagonal pyramid,  an edgeedge with one O(5)Li4NbFe pentagonal pyramid, edges with two equivalent O(2)Li4Fe2 pentagonal pyramids, edges with two equivalent O(6)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(10)Li4NbFe pentagonal pyramids. In the ninth O site, O(9) is bonded to one Li(3), one Li(5), one Li(6), one Li(7), one Fe(1), and one Fe(2) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(1)Li4Fe2 pentagonal pyramids, corners with two equivalent O(6)Li4Fe2 pentagonal pyramids, corners with two equivalent O(10)Li4NbFe pentagonal pyramids,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(11)Li4NbFe pentagonal pyramid,  an edgeedge with one O(5)Li4NbFe pentagonal pyramid,  an edgeedge with one O(8)Li4NbFe pentagonal pyramid, edges with two equivalent O(12)Li4Fe2 pentagonal pyramids, edges with two equivalent O(3)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(7)Li4NbFe pentagonal pyramids. In the tenth O site, O(10) is bonded to one Li(4), one Li(5), one Li(6), one Li(8), one Nb(1), and one Fe(3) atom to form distorted OLi4NbFe pentagonal pyramids that share corners with two equivalent O(2)Li4Fe2 pentagonal pyramids, corners with two equivalent O(9)Li4Fe2 pentagonal pyramids, corners with two equivalent O(5)Li4NbFe pentagonal pyramids,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(12)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(6)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(5)Li4NbFe pentagonal pyramid,  an edgeedge with one O(7)Li4NbFe pentagonal pyramid, edges with two equivalent O(11)Li4NbFe pentagonal pyramids, edges with two equivalent O(4)Li4NbFe pentagonal pyramids, and edges with two equivalent O(8)Li4NbFe pentagonal pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(5), one Li(7), one Li(8), one Nb(1), and one Fe(3) atom to form distorted OLi4NbFe pentagonal pyramids that share corners with two equivalent O(12)Li4Fe2 pentagonal pyramids, corners with two equivalent O(4)Li4NbFe pentagonal pyramids, corners with two equivalent O(7)Li4NbFe pentagonal pyramids,  an edgeedge with one O(2)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(3)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(9)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(4)Li4NbFe pentagonal pyramid,  an edgeedge with one O(7)Li4NbFe pentagonal pyramid,  an edgeedge with one O(8)Li4NbFe pentagonal pyramid, edges with two equivalent O(1)Li4Fe2 pentagonal pyramids, edges with two equivalent O(10)Li4NbFe pentagonal pyramids, and edges with two equivalent O(5)Li4NbFe pentagonal pyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Li(6), one Li(7), one Li(8), one Fe(1), and one Fe(2) atom to form distorted OLi4Fe2 pentagonal pyramids that share corners with two equivalent O(3)Li4Fe2 pentagonal pyramids, corners with two equivalent O(11)Li4NbFe pentagonal pyramids, corners with two equivalent O(8)Li4NbFe pentagonal pyramids,  an edgeedge with one O(1)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(3)Li4Fe2 pentagonal pyramid,  an edgeedge with one O(10)Li4NbFe pentagonal pyramid,  an edgeedge with one O(4)Li4NbFe pentagonal pyramid,  an edgeedge with one O(7)Li4NbFe pentagonal pyramid,  an edgeedge with one O(8)Li4NbFe pentagonal pyramid, edges with two equivalent O(2)Li4Fe2 pentagonal pyramids, edges with two equivalent O(6)Li4Fe2 pentagonal pyramids, and edges with two equivalent O(9)Li4Fe2 pentagonal pyramids. is represented by the CIF card [CIF]
data_Li8Nb(FeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.003
_cell_length_b   5.688
_cell_length_c   7.581
_cell_angle_alpha   80.348
_cell_angle_beta   90.066
_cell_angle_gamma   90.038
_symmetry_Int_Tables_number   1
_cell_volume   212.691
_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  0.494  0.160  0.329  1.0
  Li  Li1  1  0.498  0.167  0.848  1.0
  Li  Li2  1  0.995  0.364  0.181  1.0
  Li  Li3  1  0.999  0.357  0.695  1.0
  Li  Li4  1  0.002  0.681  0.325  1.0
  Li  Li5  1  0.006  0.676  0.837  1.0
  Li  Li6  1  0.501  0.873  0.171  1.0
  Li  Li7  1  0.504  0.878  0.692  1.0
  Nb  Nb8  1  0.501  0.520  0.509  1.0
  Fe  Fe9  1  1.000  0.019  0.010  1.0
  Fe  Fe10  1  0.500  0.519  0.010  1.0
  Fe  Fe11  1  0.999  0.020  0.510  1.0
  O  O12  1  0.856  0.016  0.253  1.0
  O  O13  1  0.143  0.023  0.766  1.0
  O  O14  1  0.313  0.196  0.081  1.0
  O  O15  1  0.674  0.196  0.582  1.0
  O  O16  1  0.176  0.345  0.439  1.0
  O  O17  1  0.821  0.331  0.939  1.0
  O  O18  1  0.642  0.517  0.260  1.0
  O  O19  1  0.359  0.521  0.760  1.0
  O  O20  1  0.179  0.708  0.080  1.0
  O  O21  1  0.825  0.693  0.581  1.0
  O  O22  1  0.326  0.841  0.437  1.0
  O  O23  1  0.686  0.842  0.939  1.0
[/CIF]
.