The structure described by Li4Nb3Mn3(FeO8)2 is Hausmannite-derived 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(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-66°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-73°. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-69°. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form NbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) 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, edges with two equivalent Nb(3)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-53°. In the third Nb site, Nb(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) 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, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-53°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  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. In the third Mn site, Mn(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom 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, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Nb(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 50-51°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom. There are sixteen 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(3), and one Fe(1) atom. In the second O site, O(2) is bonded to one Li(4), one Mn(1), one Mn(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing OLiMn2Fe trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Nb(1), one Mn(1), and one Mn(2) atom to form distorted OLiMn2Nb trigonal pyramids that share  a cornercorner with one O(11)LiMnNbFe tetrahedra,  a cornercorner with one O(12)LiMnNbFe tetrahedra, corners with three equivalent O(4)LiMn2Nb tetrahedra, and  an edgeedge with one O(2)LiMn2Fe trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), one Mn(1), and one Mn(2) atom to form distorted OLiMn2Nb tetrahedra that share corners with two equivalent O(2)LiMn2Fe trigonal pyramids and corners with three equivalent O(3)LiMn2Nb trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Nb(2), one Nb(3), and one Mn(3) 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(3), one Nb(3), one Mn(3), and one Fe(1) atom. In the seventh O site, O(7) 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 eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(4), one Nb(1), one Mn(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(3), one Nb(2), one Nb(3), and one Fe(1) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Nb(2), one Mn(3), and one Fe(2) atom to form distorted OLiMnNbFe tetrahedra that share  a cornercorner with one O(12)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(12)LiMnNbFe tetrahedra. In the twelfth O site, O(12) is bonded to one Li(1), one Nb(3), one Mn(3), and one Fe(2) atom to form OLiMnNbFe tetrahedra that share  a cornercorner with one O(11)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(11)LiMnNbFe tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Nb(2), one Nb(3), and one Mn(3) atom. In the fourteenth O site, O(14) 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 fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(2), one Nb(3), and one Fe(2) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Nb(1), one Mn(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   6.117
_cell_length_b   6.244
_cell_length_c   9.807
_cell_angle_alpha   92.169
_cell_angle_beta   90.509
_cell_angle_gamma   118.882
_symmetry_Int_Tables_number   1
_cell_volume   327.577
_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  0.677  0.348  0.097  1.0
  Li  Li1  1  0.996  0.996  0.997  1.0
  Li  Li2  1  0.014  0.033  0.514  1.0
  Li  Li3  1  0.344  0.677  0.613  1.0
  Mn  Mn4  1  0.833  0.171  0.790  1.0
  Mn  Mn5  1  0.336  0.158  0.792  1.0
  Mn  Mn6  1  0.174  0.344  0.287  1.0
  Nb  Nb7  1  0.822  0.654  0.780  1.0
  Nb  Nb8  1  0.664  0.835  0.283  1.0
  Nb  Nb9  1  0.169  0.835  0.286  1.0
  Fe  Fe10  1  0.652  0.293  0.526  1.0
  Fe  Fe11  1  0.313  0.640  0.995  1.0
  O  O12  1  0.822  0.152  0.401  1.0
  O  O13  1  0.543  0.040  0.660  1.0
  O  O14  1  0.693  0.348  0.894  1.0
  O  O15  1  0.972  0.985  0.698  1.0
  O  O16  1  0.992  0.988  0.183  1.0
  O  O17  1  0.329  0.148  0.406  1.0
  O  O18  1  0.965  0.499  0.650  1.0
  O  O19  1  0.531  0.486  0.648  1.0
  O  O20  1  0.138  0.312  0.909  1.0
  O  O21  1  0.851  0.699  0.392  1.0
  O  O22  1  0.498  0.546  0.157  1.0
  O  O23  1  0.048  0.547  0.160  1.0
  O  O24  1  0.355  0.703  0.399  1.0
  O  O25  1  0.646  0.787  0.903  1.0
  O  O26  1  0.483  0.973  0.170  1.0
  O  O27  1  0.145  0.804  0.902  1.0
[/CIF]
.
The structure described by Li4Nb3Mn3(FeO8)2 is Hausmannite-derived 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(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-66°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-73°. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-69°. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form NbO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) 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, edges with two equivalent Nb(3)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-53°. In the third Nb site, Nb(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) 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, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-53°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  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. In the third Mn site, Mn(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom 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, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Nb(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 50-51°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom. There are sixteen 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(3), and one Fe(1) atom. In the second O site, O(2) is bonded to one Li(4), one Mn(1), one Mn(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing OLiMn2Fe trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Nb(1), one Mn(1), and one Mn(2) atom to form distorted OLiMn2Nb trigonal pyramids that share  a cornercorner with one O(11)LiMnNbFe tetrahedra,  a cornercorner with one O(12)LiMnNbFe tetrahedra, corners with three equivalent O(4)LiMn2Nb tetrahedra, and  an edgeedge with one O(2)LiMn2Fe trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), one Mn(1), and one Mn(2) atom to form distorted OLiMn2Nb tetrahedra that share corners with two equivalent O(2)LiMn2Fe trigonal pyramids and corners with three equivalent O(3)LiMn2Nb trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Nb(2), one Nb(3), and one Mn(3) 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(3), one Nb(3), one Mn(3), and one Fe(1) atom. In the seventh O site, O(7) 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 eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(4), one Nb(1), one Mn(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(3), one Nb(2), one Nb(3), and one Fe(1) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Nb(2), one Mn(3), and one Fe(2) atom to form distorted OLiMnNbFe tetrahedra that share  a cornercorner with one O(12)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(12)LiMnNbFe tetrahedra. In the twelfth O site, O(12) is bonded to one Li(1), one Nb(3), one Mn(3), and one Fe(2) atom to form OLiMnNbFe tetrahedra that share  a cornercorner with one O(11)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(11)LiMnNbFe tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Nb(2), one Nb(3), and one Mn(3) atom. In the fourteenth O site, O(14) 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 fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(2), one Nb(3), and one Fe(2) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Nb(1), one Mn(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   6.117
_cell_length_b   6.244
_cell_length_c   9.807
_cell_angle_alpha   92.169
_cell_angle_beta   90.509
_cell_angle_gamma   118.882
_symmetry_Int_Tables_number   1
_cell_volume   327.577
_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  0.677  0.348  0.097  1.0
  Li  Li1  1  0.996  0.996  0.997  1.0
  Li  Li2  1  0.014  0.033  0.514  1.0
  Li  Li3  1  0.344  0.677  0.613  1.0
  Mn  Mn4  1  0.833  0.171  0.790  1.0
  Mn  Mn5  1  0.336  0.158  0.792  1.0
  Mn  Mn6  1  0.174  0.344  0.287  1.0
  Nb  Nb7  1  0.822  0.654  0.780  1.0
  Nb  Nb8  1  0.664  0.835  0.283  1.0
  Nb  Nb9  1  0.169  0.835  0.286  1.0
  Fe  Fe10  1  0.652  0.293  0.526  1.0
  Fe  Fe11  1  0.313  0.640  0.995  1.0
  O  O12  1  0.822  0.152  0.401  1.0
  O  O13  1  0.543  0.040  0.660  1.0
  O  O14  1  0.693  0.348  0.894  1.0
  O  O15  1  0.972  0.985  0.698  1.0
  O  O16  1  0.992  0.988  0.183  1.0
  O  O17  1  0.329  0.148  0.406  1.0
  O  O18  1  0.965  0.499  0.650  1.0
  O  O19  1  0.531  0.486  0.648  1.0
  O  O20  1  0.138  0.312  0.909  1.0
  O  O21  1  0.851  0.699  0.392  1.0
  O  O22  1  0.498  0.546  0.157  1.0
  O  O23  1  0.048  0.547  0.160  1.0
  O  O24  1  0.355  0.703  0.399  1.0
  O  O25  1  0.646  0.787  0.903  1.0
  O  O26  1  0.483  0.973  0.170  1.0
  O  O27  1  0.145  0.804  0.902  1.0
[/CIF]
.