The structure described by Li7Nb2Fe3O16 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-67°. In the third Li site, Li(3) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-66°. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fifth Li site, Li(5) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the sixth Li site, Li(6) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-68°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted NbO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(4), one Li(5), one Nb(1), and one Fe(2) atom. In the second O site, O(2) is bonded to one Li(6), two equivalent Li(1), and one Nb(1) atom to form distorted OLi3Nb tetrahedra that share corners with two equivalent O(4)Li3Fe tetrahedra,  a cornercorner with one O(10)Li2Fe2 trigonal pyramid, corners with two equivalent O(6)Li2NbFe trigonal pyramids, and edges with two equivalent O(6)Li2NbFe trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(1), and one Fe(1) atom to form OLi3Fe tetrahedra that share corners with two equivalent O(2)Li3Nb tetrahedra and corners with four equivalent O(6)Li2NbFe trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(3), one Li(5), and two equivalent Fe(2) atoms to form OLi2Fe2 tetrahedra that share corners with four equivalent O(9)Li2NbFe tetrahedra and corners with three equivalent O(10)Li2Fe2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(6), one Nb(1), and one Fe(1) atom to form distorted OLi2NbFe trigonal pyramids that share  a cornercorner with one O(2)Li3Nb tetrahedra, corners with two equivalent O(4)Li3Fe tetrahedra,  a cornercorner with one O(10)Li2Fe2 trigonal pyramid,  a cornercorner with one O(6)Li2NbFe trigonal pyramid,  an edgeedge with one O(2)Li3Nb tetrahedra, and  an edgeedge with one O(6)Li2NbFe trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Li(1), and one Nb(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded to one Li(2), one Li(5), one Nb(2), and one Fe(2) atom to form distorted OLi2NbFe tetrahedra that share  a cornercorner with one O(9)Li2NbFe tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra,  an edgeedge with one O(9)Li2NbFe tetrahedra, and  an edgeedge with one O(10)Li2Fe2 trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(5), one Li(6), and two equivalent Fe(2) atoms to form distorted OLi2Fe2 trigonal pyramids that share  a cornercorner with one O(2)Li3Nb tetrahedra, corners with three equivalent O(5)Li2Fe2 tetrahedra, corners with two equivalent O(6)Li2NbFe trigonal pyramids, and edges with two equivalent O(9)Li2NbFe tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Nb(2), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Nb(2), and two equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Li7Nb2Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.922
_cell_length_b   5.922
_cell_length_c   9.612
_cell_angle_alpha   88.593
_cell_angle_beta   88.593
_cell_angle_gamma   57.899
_symmetry_Int_Tables_number   1
_cell_volume   285.455
_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  0.335  0.825  0.209  1.0
  Li  Li1  1  0.674  0.674  0.903  1.0
  Li  Li2  1  0.993  0.993  0.001  1.0
  Li  Li3  1  0.997  0.997  0.489  1.0
  Li  Li4  1  0.825  0.335  0.209  1.0
  Li  Li5  1  0.166  0.166  0.711  1.0
  Li  Li6  1  0.335  0.335  0.397  1.0
  Nb  Nb7  1  0.640  0.640  0.476  1.0
  Nb  Nb8  1  0.325  0.325  0.003  1.0
  Fe  Fe9  1  0.823  0.823  0.224  1.0
  Fe  Fe10  1  0.166  0.658  0.716  1.0
  Fe  Fe11  1  0.658  0.166  0.716  1.0
  O  O12  1  0.324  0.819  0.599  1.0
  O  O13  1  0.512  0.512  0.351  1.0
  O  O14  1  0.690  0.690  0.113  1.0
  O  O15  1  0.975  0.975  0.301  1.0
  O  O16  1  0.988  0.988  0.808  1.0
  O  O17  1  0.819  0.324  0.599  1.0
  O  O18  1  0.537  0.962  0.348  1.0
  O  O19  1  0.962  0.537  0.348  1.0
  O  O20  1  0.161  0.161  0.074  1.0
  O  O21  1  0.843  0.843  0.613  1.0
  O  O22  1  0.044  0.508  0.834  1.0
  O  O23  1  0.508  0.044  0.834  1.0
  O  O24  1  0.347  0.347  0.612  1.0
  O  O25  1  0.152  0.657  0.097  1.0
  O  O26  1  0.485  0.485  0.827  1.0
  O  O27  1  0.657  0.152  0.097  1.0
[/CIF]
.
The structure described by Li7Nb2Fe3O16 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-67°. In the third Li site, Li(3) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-66°. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fifth Li site, Li(5) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the sixth Li site, Li(6) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-68°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted NbO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(4), one Li(5), one Nb(1), and one Fe(2) atom. In the second O site, O(2) is bonded to one Li(6), two equivalent Li(1), and one Nb(1) atom to form distorted OLi3Nb tetrahedra that share corners with two equivalent O(4)Li3Fe tetrahedra,  a cornercorner with one O(10)Li2Fe2 trigonal pyramid, corners with two equivalent O(6)Li2NbFe trigonal pyramids, and edges with two equivalent O(6)Li2NbFe trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(1), and one Fe(1) atom to form OLi3Fe tetrahedra that share corners with two equivalent O(2)Li3Nb tetrahedra and corners with four equivalent O(6)Li2NbFe trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(3), one Li(5), and two equivalent Fe(2) atoms to form OLi2Fe2 tetrahedra that share corners with four equivalent O(9)Li2NbFe tetrahedra and corners with three equivalent O(10)Li2Fe2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(6), one Nb(1), and one Fe(1) atom to form distorted OLi2NbFe trigonal pyramids that share  a cornercorner with one O(2)Li3Nb tetrahedra, corners with two equivalent O(4)Li3Fe tetrahedra,  a cornercorner with one O(10)Li2Fe2 trigonal pyramid,  a cornercorner with one O(6)Li2NbFe trigonal pyramid,  an edgeedge with one O(2)Li3Nb tetrahedra, and  an edgeedge with one O(6)Li2NbFe trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Li(1), and one Nb(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded to one Li(2), one Li(5), one Nb(2), and one Fe(2) atom to form distorted OLi2NbFe tetrahedra that share  a cornercorner with one O(9)Li2NbFe tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra,  an edgeedge with one O(9)Li2NbFe tetrahedra, and  an edgeedge with one O(10)Li2Fe2 trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(5), one Li(6), and two equivalent Fe(2) atoms to form distorted OLi2Fe2 trigonal pyramids that share  a cornercorner with one O(2)Li3Nb tetrahedra, corners with three equivalent O(5)Li2Fe2 tetrahedra, corners with two equivalent O(6)Li2NbFe trigonal pyramids, and edges with two equivalent O(9)Li2NbFe tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Nb(2), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Nb(2), and two equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Li7Nb2Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.922
_cell_length_b   5.922
_cell_length_c   9.612
_cell_angle_alpha   88.593
_cell_angle_beta   88.593
_cell_angle_gamma   57.899
_symmetry_Int_Tables_number   1
_cell_volume   285.455
_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  0.335  0.825  0.209  1.0
  Li  Li1  1  0.674  0.674  0.903  1.0
  Li  Li2  1  0.993  0.993  0.001  1.0
  Li  Li3  1  0.997  0.997  0.489  1.0
  Li  Li4  1  0.825  0.335  0.209  1.0
  Li  Li5  1  0.166  0.166  0.711  1.0
  Li  Li6  1  0.335  0.335  0.397  1.0
  Nb  Nb7  1  0.640  0.640  0.476  1.0
  Nb  Nb8  1  0.325  0.325  0.003  1.0
  Fe  Fe9  1  0.823  0.823  0.224  1.0
  Fe  Fe10  1  0.166  0.658  0.716  1.0
  Fe  Fe11  1  0.658  0.166  0.716  1.0
  O  O12  1  0.324  0.819  0.599  1.0
  O  O13  1  0.512  0.512  0.351  1.0
  O  O14  1  0.690  0.690  0.113  1.0
  O  O15  1  0.975  0.975  0.301  1.0
  O  O16  1  0.988  0.988  0.808  1.0
  O  O17  1  0.819  0.324  0.599  1.0
  O  O18  1  0.537  0.962  0.348  1.0
  O  O19  1  0.962  0.537  0.348  1.0
  O  O20  1  0.161  0.161  0.074  1.0
  O  O21  1  0.843  0.843  0.613  1.0
  O  O22  1  0.044  0.508  0.834  1.0
  O  O23  1  0.508  0.044  0.834  1.0
  O  O24  1  0.347  0.347  0.612  1.0
  O  O25  1  0.152  0.657  0.097  1.0
  O  O26  1  0.485  0.485  0.827  1.0
  O  O27  1  0.657  0.152  0.097  1.0
[/CIF]
.