The material described by Li4Nb3Mn3(FeO8)2 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) 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 Nb(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-67°. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) 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 Mn(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-65°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second Nb site, Nb(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 NbO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are two inequivalent Mn sites. In the first Mn site, Mn(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 distorted MnO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second Mn site, Mn(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Fe site, Fe(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted FeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. 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(3), one Nb(2), one Mn(2), and one Fe(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Mn(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Fe tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Nb(1), and two equivalent Mn(1) atoms to form distorted OLiMn2Nb trigonal pyramids that share corners with two equivalent O(9)LiMnNbFe tetrahedra, corners with three equivalent O(4)LiMn2Nb tetrahedra, and  an edgeedge with one O(2)LiMn2Fe tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), and two equivalent Mn(1) atoms to form OLiMn2Nb tetrahedra that share corners with two equivalent O(2)LiMn2Fe tetrahedra and corners with three equivalent O(3)LiMn2Nb trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Nb(2), and one Mn(2) atom to form distorted corner-sharing OLiMnNb2 tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Nb(1), one Mn(1), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Mn(1), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Nb(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Nb(2), one Mn(2), and one Fe(2) atom to form distorted OLiMnNbFe tetrahedra that share  a cornercorner with one O(9)LiMnNbFe tetrahedra, corners with two equivalent O(5)LiMnNb2 tetrahedra,  a cornercorner with one O(3)LiMn2Nb trigonal pyramid, and  an edgeedge with one O(9)LiMnNbFe tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Nb(2), and one Mn(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Nb(1), one Mn(1), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Nb(2), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn3Nb3(FeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.209
_cell_length_b   6.034
_cell_length_c   9.846
_cell_angle_alpha   89.925
_cell_angle_beta   87.994
_cell_angle_gamma   119.082
_symmetry_Int_Tables_number   1
_cell_volume   322.129
_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  0.342  0.671  0.900  1.0
  Li  Li1  1  0.003  0.001  0.002  1.0
  Li  Li2  1  0.028  0.014  0.488  1.0
  Li  Li3  1  0.676  0.338  0.388  1.0
  Mn  Mn4  1  0.173  0.832  0.213  1.0
  Mn  Mn5  1  0.173  0.341  0.213  1.0
  Mn  Mn6  1  0.340  0.170  0.715  1.0
  Nb  Nb7  1  0.660  0.830  0.219  1.0
  Nb  Nb8  1  0.831  0.663  0.715  1.0
  Nb  Nb9  1  0.831  0.168  0.715  1.0
  Fe  Fe10  1  0.307  0.654  0.480  1.0
  Fe  Fe11  1  0.645  0.323  0.004  1.0
  O  O12  1  0.148  0.825  0.599  1.0
  O  O13  1  0.046  0.523  0.328  1.0
  O  O14  1  0.332  0.666  0.110  1.0
  O  O15  1  0.003  0.001  0.303  1.0
  O  O16  1  0.986  0.993  0.818  1.0
  O  O17  1  0.149  0.323  0.598  1.0
  O  O18  1  0.498  0.967  0.347  1.0
  O  O19  1  0.497  0.531  0.347  1.0
  O  O20  1  0.312  0.156  0.101  1.0
  O  O21  1  0.693  0.847  0.605  1.0
  O  O22  1  0.533  0.492  0.838  1.0
  O  O23  1  0.533  0.042  0.838  1.0
  O  O24  1  0.697  0.348  0.600  1.0
  O  O25  1  0.797  0.658  0.096  1.0
  O  O26  1  0.970  0.485  0.831  1.0
  O  O27  1  0.798  0.140  0.097  1.0
[/CIF]
.
The material described by Li4Nb3Mn3(FeO8)2 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) 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 Nb(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-67°. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) 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 Mn(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-65°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second Nb site, Nb(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 NbO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are two inequivalent Mn sites. In the first Mn site, Mn(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 distorted MnO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second Mn site, Mn(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Fe site, Fe(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted FeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. 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(3), one Nb(2), one Mn(2), and one Fe(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Mn(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Fe tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Nb(1), and two equivalent Mn(1) atoms to form distorted OLiMn2Nb trigonal pyramids that share corners with two equivalent O(9)LiMnNbFe tetrahedra, corners with three equivalent O(4)LiMn2Nb tetrahedra, and  an edgeedge with one O(2)LiMn2Fe tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), and two equivalent Mn(1) atoms to form OLiMn2Nb tetrahedra that share corners with two equivalent O(2)LiMn2Fe tetrahedra and corners with three equivalent O(3)LiMn2Nb trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Nb(2), and one Mn(2) atom to form distorted corner-sharing OLiMnNb2 tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Nb(1), one Mn(1), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Mn(1), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Nb(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Nb(2), one Mn(2), and one Fe(2) atom to form distorted OLiMnNbFe tetrahedra that share  a cornercorner with one O(9)LiMnNbFe tetrahedra, corners with two equivalent O(5)LiMnNb2 tetrahedra,  a cornercorner with one O(3)LiMn2Nb trigonal pyramid, and  an edgeedge with one O(9)LiMnNbFe tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Nb(2), and one Mn(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Nb(1), one Mn(1), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Nb(2), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn3Nb3(FeO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.209
_cell_length_b   6.034
_cell_length_c   9.846
_cell_angle_alpha   89.925
_cell_angle_beta   87.994
_cell_angle_gamma   119.082
_symmetry_Int_Tables_number   1
_cell_volume   322.129
_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  0.342  0.671  0.900  1.0
  Li  Li1  1  0.003  0.001  0.002  1.0
  Li  Li2  1  0.028  0.014  0.488  1.0
  Li  Li3  1  0.676  0.338  0.388  1.0
  Mn  Mn4  1  0.173  0.832  0.213  1.0
  Mn  Mn5  1  0.173  0.341  0.213  1.0
  Mn  Mn6  1  0.340  0.170  0.715  1.0
  Nb  Nb7  1  0.660  0.830  0.219  1.0
  Nb  Nb8  1  0.831  0.663  0.715  1.0
  Nb  Nb9  1  0.831  0.168  0.715  1.0
  Fe  Fe10  1  0.307  0.654  0.480  1.0
  Fe  Fe11  1  0.645  0.323  0.004  1.0
  O  O12  1  0.148  0.825  0.599  1.0
  O  O13  1  0.046  0.523  0.328  1.0
  O  O14  1  0.332  0.666  0.110  1.0
  O  O15  1  0.003  0.001  0.303  1.0
  O  O16  1  0.986  0.993  0.818  1.0
  O  O17  1  0.149  0.323  0.598  1.0
  O  O18  1  0.498  0.967  0.347  1.0
  O  O19  1  0.497  0.531  0.347  1.0
  O  O20  1  0.312  0.156  0.101  1.0
  O  O21  1  0.693  0.847  0.605  1.0
  O  O22  1  0.533  0.492  0.838  1.0
  O  O23  1  0.533  0.042  0.838  1.0
  O  O24  1  0.697  0.348  0.600  1.0
  O  O25  1  0.797  0.658  0.096  1.0
  O  O26  1  0.970  0.485  0.831  1.0
  O  O27  1  0.798  0.140  0.097  1.0
[/CIF]
.