The compound described by Li4NbFe3O8 is Stannite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. Nb(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form NbO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Nb(1), and one Fe(1) atom to form OLi2NbFe tetrahedra that share corners with two equivalent O(3)Li2Fe2 tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra, corners with two equivalent O(7)Li2Fe2 tetrahedra, corners with two equivalent O(2)Li2NbFe tetrahedra, corners with two equivalent O(6)Li2NbFe tetrahedra, and corners with two equivalent O(8)Li2NbFe tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Nb(1), and one Fe(2) atom to form OLi2NbFe tetrahedra that share corners with two equivalent O(4)Li2Fe2 tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra, corners with two equivalent O(7)Li2Fe2 tetrahedra, corners with two equivalent O(1)Li2NbFe tetrahedra, corners with two equivalent O(6)Li2NbFe tetrahedra, and corners with two equivalent O(8)Li2NbFe tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Fe(1), and one Fe(3) atom to form OLi2Fe2 tetrahedra that share corners with two equivalent O(4)Li2Fe2 tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra, corners with two equivalent O(7)Li2Fe2 tetrahedra, corners with two equivalent O(1)Li2NbFe tetrahedra, corners with two equivalent O(6)Li2NbFe tetrahedra, and corners with two equivalent O(8)Li2NbFe tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Fe(2), and one Fe(3) atom to form OLi2Fe2 tetrahedra that share corners with two equivalent O(3)Li2Fe2 tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra, corners with two equivalent O(7)Li2Fe2 tetrahedra, corners with two equivalent O(2)Li2NbFe tetrahedra, corners with two equivalent O(6)Li2NbFe tetrahedra, and corners with two equivalent O(8)Li2NbFe tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Fe(2), and one Fe(3) atom to form OLi2Fe2 tetrahedra that share corners with two equivalent O(3)Li2Fe2 tetrahedra, corners with two equivalent O(4)Li2Fe2 tetrahedra, corners with two equivalent O(7)Li2Fe2 tetrahedra, corners with two equivalent O(1)Li2NbFe tetrahedra, corners with two equivalent O(2)Li2NbFe tetrahedra, and corners with two equivalent O(6)Li2NbFe tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Nb(1), and one Fe(2) atom to form OLi2NbFe tetrahedra that share corners with two equivalent O(3)Li2Fe2 tetrahedra, corners with two equivalent O(4)Li2Fe2 tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra, corners with two equivalent O(1)Li2NbFe tetrahedra, corners with two equivalent O(2)Li2NbFe tetrahedra, and corners with two equivalent O(8)Li2NbFe tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Fe(1), and one Fe(3) atom to form OLi2Fe2 tetrahedra that share corners with two equivalent O(3)Li2Fe2 tetrahedra, corners with two equivalent O(4)Li2Fe2 tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra, corners with two equivalent O(1)Li2NbFe tetrahedra, corners with two equivalent O(2)Li2NbFe tetrahedra, and corners with two equivalent O(8)Li2NbFe tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Nb(1), and one Fe(1) atom to form OLi2NbFe tetrahedra that share corners with two equivalent O(3)Li2Fe2 tetrahedra, corners with two equivalent O(4)Li2Fe2 tetrahedra, corners with two equivalent O(7)Li2Fe2 tetrahedra, corners with two equivalent O(1)Li2NbFe tetrahedra, corners with two equivalent O(2)Li2NbFe tetrahedra, and corners with two equivalent O(6)Li2NbFe tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4NbFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.163
_cell_length_b   5.751
_cell_length_c   6.603
_cell_angle_alpha   89.222
_cell_angle_beta   89.803
_cell_angle_gamma   89.813
_symmetry_Int_Tables_number   1
_cell_volume   196.056
_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  0.004  0.085  0.388  1.0
  Li  Li1  1  0.506  0.426  0.867  1.0
  Li  Li2  1  0.003  0.563  0.125  1.0
  Li  Li3  1  0.506  0.906  0.623  1.0
  Nb  Nb4  1  0.495  0.915  0.123  1.0
  Fe  Fe5  1  0.025  0.098  0.850  1.0
  Fe  Fe6  1  0.488  0.426  0.395  1.0
  Fe  Fe7  1  0.007  0.585  0.628  1.0
  O  O8  1  0.612  0.075  0.888  1.0
  O  O9  1  0.607  0.075  0.355  1.0
  O  O10  1  0.120  0.426  0.869  1.0
  O  O11  1  0.104  0.417  0.388  1.0
  O  O12  1  0.637  0.585  0.626  1.0
  O  O13  1  0.611  0.604  0.125  1.0
  O  O14  1  0.121  0.899  0.624  1.0
  O  O15  1  0.128  0.917  0.127  1.0
[/CIF]
.
The compound described by Li4NbFe3O8 is Stannite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. Nb(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form NbO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Nb(1), and one Fe(1) atom to form OLi2NbFe tetrahedra that share corners with two equivalent O(3)Li2Fe2 tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra, corners with two equivalent O(7)Li2Fe2 tetrahedra, corners with two equivalent O(2)Li2NbFe tetrahedra, corners with two equivalent O(6)Li2NbFe tetrahedra, and corners with two equivalent O(8)Li2NbFe tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Nb(1), and one Fe(2) atom to form OLi2NbFe tetrahedra that share corners with two equivalent O(4)Li2Fe2 tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra, corners with two equivalent O(7)Li2Fe2 tetrahedra, corners with two equivalent O(1)Li2NbFe tetrahedra, corners with two equivalent O(6)Li2NbFe tetrahedra, and corners with two equivalent O(8)Li2NbFe tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Fe(1), and one Fe(3) atom to form OLi2Fe2 tetrahedra that share corners with two equivalent O(4)Li2Fe2 tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra, corners with two equivalent O(7)Li2Fe2 tetrahedra, corners with two equivalent O(1)Li2NbFe tetrahedra, corners with two equivalent O(6)Li2NbFe tetrahedra, and corners with two equivalent O(8)Li2NbFe tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Fe(2), and one Fe(3) atom to form OLi2Fe2 tetrahedra that share corners with two equivalent O(3)Li2Fe2 tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra, corners with two equivalent O(7)Li2Fe2 tetrahedra, corners with two equivalent O(2)Li2NbFe tetrahedra, corners with two equivalent O(6)Li2NbFe tetrahedra, and corners with two equivalent O(8)Li2NbFe tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Fe(2), and one Fe(3) atom to form OLi2Fe2 tetrahedra that share corners with two equivalent O(3)Li2Fe2 tetrahedra, corners with two equivalent O(4)Li2Fe2 tetrahedra, corners with two equivalent O(7)Li2Fe2 tetrahedra, corners with two equivalent O(1)Li2NbFe tetrahedra, corners with two equivalent O(2)Li2NbFe tetrahedra, and corners with two equivalent O(6)Li2NbFe tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Nb(1), and one Fe(2) atom to form OLi2NbFe tetrahedra that share corners with two equivalent O(3)Li2Fe2 tetrahedra, corners with two equivalent O(4)Li2Fe2 tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra, corners with two equivalent O(1)Li2NbFe tetrahedra, corners with two equivalent O(2)Li2NbFe tetrahedra, and corners with two equivalent O(8)Li2NbFe tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Fe(1), and one Fe(3) atom to form OLi2Fe2 tetrahedra that share corners with two equivalent O(3)Li2Fe2 tetrahedra, corners with two equivalent O(4)Li2Fe2 tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra, corners with two equivalent O(1)Li2NbFe tetrahedra, corners with two equivalent O(2)Li2NbFe tetrahedra, and corners with two equivalent O(8)Li2NbFe tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Nb(1), and one Fe(1) atom to form OLi2NbFe tetrahedra that share corners with two equivalent O(3)Li2Fe2 tetrahedra, corners with two equivalent O(4)Li2Fe2 tetrahedra, corners with two equivalent O(7)Li2Fe2 tetrahedra, corners with two equivalent O(1)Li2NbFe tetrahedra, corners with two equivalent O(2)Li2NbFe tetrahedra, and corners with two equivalent O(6)Li2NbFe tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4NbFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.163
_cell_length_b   5.751
_cell_length_c   6.603
_cell_angle_alpha   89.222
_cell_angle_beta   89.803
_cell_angle_gamma   89.813
_symmetry_Int_Tables_number   1
_cell_volume   196.056
_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  0.004  0.085  0.388  1.0
  Li  Li1  1  0.506  0.426  0.867  1.0
  Li  Li2  1  0.003  0.563  0.125  1.0
  Li  Li3  1  0.506  0.906  0.623  1.0
  Nb  Nb4  1  0.495  0.915  0.123  1.0
  Fe  Fe5  1  0.025  0.098  0.850  1.0
  Fe  Fe6  1  0.488  0.426  0.395  1.0
  Fe  Fe7  1  0.007  0.585  0.628  1.0
  O  O8  1  0.612  0.075  0.888  1.0
  O  O9  1  0.607  0.075  0.355  1.0
  O  O10  1  0.120  0.426  0.869  1.0
  O  O11  1  0.104  0.417  0.388  1.0
  O  O12  1  0.637  0.585  0.626  1.0
  O  O13  1  0.611  0.604  0.125  1.0
  O  O14  1  0.121  0.899  0.624  1.0
  O  O15  1  0.128  0.917  0.127  1.0
[/CIF]
.