The material structure described by Li8Mn5Fe3(BO3)8 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(17), one O(2), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with two equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(15), one O(4), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(10), one O(16), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, corners with two equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(24), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(4)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with two equivalent Mn(3)O5 trigonal bipyramids,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the fifth Li site, Li(5) is bonded to one O(1), one O(13), one O(14), and one O(17) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(4)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with two equivalent Mn(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(15), one O(18), one O(20), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, corners with two equivalent Fe(3)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the seventh Li site, Li(7) is bonded to one O(10), one O(16), one O(19), and one O(21) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Mn(5)O5 trigonal bipyramids,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the eighth Li site, Li(8) is bonded to one O(22), one O(23), one O(24), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Mn(4)O5 trigonal bipyramids,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(18), one O(21), one O(4), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Mn(5)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(13), one O(14), one O(2), one O(20), and one O(9) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(16), one O(23), and one O(5) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(17), one O(22), one O(23), and one O(3) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the fifth Mn site, Mn(5) is bonded to one O(15), one O(19), one O(21), one O(4), and one O(7) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(19), one O(24), one O(5), and one O(7) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(14), one O(2), one O(22), one O(3), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(1), one O(13), one O(18), one O(20), and one O(6) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(20) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(3), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(13), one O(6), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(7) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(15), one O(18), and one O(21) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(12), one O(16), and one O(19) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(14), one O(17), and one O(22) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(23), one O(24), and one O(5) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Fe(3), and one B(1) atom. In the second O site, O(2) is bonded to one Li(1), one Mn(2), one Fe(2), and one B(1) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Mn(4), one Fe(2), and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(5), and one B(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(3), one Mn(3), one Fe(1), and one B(8) atom. In the sixth O site, O(6) is bonded to one Li(2), one Mn(1), one Fe(3), and one B(3) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the seventh O site, O(7) is bonded to one Li(3), one Mn(5), one Fe(1), and one B(4) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(8), one Fe(2), and one B(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(6), one Mn(2), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(7), one Mn(1), and one B(4) atom. In the eleventh O site, O(11) is bonded to one Li(4), one Mn(3), one Mn(4), and one B(2) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(4), one Mn(3), one Fe(1), and one B(6) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(5), one Mn(2), one Fe(3), and one B(3) atom. In the fourteenth O site, O(14) is bonded to one Li(5), one Mn(2), one Fe(2), and one B(7) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(6), one Mn(5), and one B(5) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(7), one Mn(3), and one B(6) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Mn(4), and one B(7) atom. In the eighteenth O site, O(18) is bonded to one Li(6), one Mn(1), one Fe(3), and one B(5) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the nineteenth O site, O(19) is bonded to one Li(7), one Mn(5), one Fe(1), and one B(6) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(6), one Mn(2), one Fe(3), and one B(1) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Li(7), one Mn(1), one Mn(5), and one B(5) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(8), one Mn(4), one Fe(2), and one B(7) atom. In the twenty-third O site, O(23) is bonded to one Li(8), one Mn(3), one Mn(4), and one B(8) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the twenty-fourth O site, O(24) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(8), one Fe(1), and one B(8) atom. is represented by the CIF file [CIF]
data_Li8Mn5Fe3(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.246
_cell_length_b   6.050
_cell_length_c   16.187
_cell_angle_alpha   82.085
_cell_angle_beta   89.014
_cell_angle_gamma   89.012
_symmetry_Int_Tables_number   1
_cell_volume   508.649
_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  0.850  0.063  0.389  1.0
  Li  Li1  1  0.151  0.436  0.109  1.0
  Li  Li2  1  0.650  0.188  0.859  1.0
  Li  Li3  1  0.349  0.311  0.641  1.0
  Li  Li4  1  0.651  0.688  0.358  1.0
  Li  Li5  1  0.349  0.812  0.141  1.0
  Li  Li6  1  0.849  0.564  0.891  1.0
  Li  Li7  1  0.152  0.936  0.610  1.0
  Mn  Mn8  1  0.668  0.273  0.041  1.0
  Mn  Mn9  1  0.167  0.521  0.291  1.0
  Mn  Mn10  1  0.834  0.477  0.711  1.0
  Mn  Mn11  1  0.666  0.775  0.539  1.0
  Mn  Mn12  1  0.332  0.727  0.959  1.0
  Fe  Fe13  1  0.160  0.025  0.791  1.0
  Fe  Fe14  1  0.331  0.225  0.462  1.0
  Fe  Fe15  1  0.841  0.974  0.209  1.0
  B  B16  1  0.331  0.037  0.298  1.0
  B  B17  1  0.827  0.286  0.547  1.0
  B  B18  1  0.671  0.463  0.203  1.0
  B  B19  1  0.169  0.215  0.951  1.0
  B  B20  1  0.830  0.785  0.049  1.0
  B  B21  1  0.329  0.537  0.797  1.0
  B  B22  1  0.171  0.715  0.452  1.0
  B  B23  1  0.670  0.963  0.703  1.0
  O  O24  1  0.590  0.013  0.308  1.0
  O  O25  1  0.186  0.169  0.346  1.0
  O  O26  1  0.706  0.170  0.490  1.0
  O  O27  1  0.288  0.331  0.008  1.0
  O  O28  1  0.793  0.078  0.760  1.0
  O  O29  1  0.821  0.327  0.157  1.0
  O  O30  1  0.318  0.081  0.903  1.0
  O  O31  1  0.088  0.263  0.558  1.0
  O  O32  1  0.412  0.486  0.189  1.0
  O  O33  1  0.910  0.236  0.938  1.0
  O  O34  1  0.682  0.418  0.595  1.0
  O  O35  1  0.215  0.418  0.741  1.0
  O  O36  1  0.787  0.582  0.259  1.0
  O  O37  1  0.321  0.579  0.407  1.0
  O  O38  1  0.090  0.764  0.061  1.0
  O  O39  1  0.588  0.515  0.812  1.0
  O  O40  1  0.911  0.736  0.438  1.0
  O  O41  1  0.682  0.919  0.096  1.0
  O  O42  1  0.179  0.673  0.843  1.0
  O  O43  1  0.207  0.924  0.241  1.0
  O  O44  1  0.712  0.670  0.992  1.0
  O  O45  1  0.286  0.833  0.509  1.0
  O  O46  1  0.818  0.831  0.655  1.0
  O  O47  1  0.412  0.987  0.692  1.0
[/CIF]
.
The material structure described by Li8Mn5Fe3(BO3)8 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(17), one O(2), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with two equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(15), one O(4), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(10), one O(16), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, corners with two equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(24), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(4)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with two equivalent Mn(3)O5 trigonal bipyramids,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the fifth Li site, Li(5) is bonded to one O(1), one O(13), one O(14), and one O(17) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(4)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with two equivalent Mn(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(15), one O(18), one O(20), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, corners with two equivalent Fe(3)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the seventh Li site, Li(7) is bonded to one O(10), one O(16), one O(19), and one O(21) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Mn(5)O5 trigonal bipyramids,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the eighth Li site, Li(8) is bonded to one O(22), one O(23), one O(24), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Mn(4)O5 trigonal bipyramids,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(18), one O(21), one O(4), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Mn(5)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(13), one O(14), one O(2), one O(20), and one O(9) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(16), one O(23), and one O(5) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(17), one O(22), one O(23), and one O(3) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the fifth Mn site, Mn(5) is bonded to one O(15), one O(19), one O(21), one O(4), and one O(7) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(19), one O(24), one O(5), and one O(7) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(14), one O(2), one O(22), one O(3), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(1), one O(13), one O(18), one O(20), and one O(6) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(20) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(3), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(13), one O(6), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(7) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(15), one O(18), and one O(21) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(12), one O(16), and one O(19) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(14), one O(17), and one O(22) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(23), one O(24), and one O(5) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Fe(3), and one B(1) atom. In the second O site, O(2) is bonded to one Li(1), one Mn(2), one Fe(2), and one B(1) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Mn(4), one Fe(2), and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(5), and one B(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(3), one Mn(3), one Fe(1), and one B(8) atom. In the sixth O site, O(6) is bonded to one Li(2), one Mn(1), one Fe(3), and one B(3) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the seventh O site, O(7) is bonded to one Li(3), one Mn(5), one Fe(1), and one B(4) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(8), one Fe(2), and one B(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(6), one Mn(2), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(7), one Mn(1), and one B(4) atom. In the eleventh O site, O(11) is bonded to one Li(4), one Mn(3), one Mn(4), and one B(2) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(4), one Mn(3), one Fe(1), and one B(6) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(5), one Mn(2), one Fe(3), and one B(3) atom. In the fourteenth O site, O(14) is bonded to one Li(5), one Mn(2), one Fe(2), and one B(7) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(6), one Mn(5), and one B(5) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(7), one Mn(3), and one B(6) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Mn(4), and one B(7) atom. In the eighteenth O site, O(18) is bonded to one Li(6), one Mn(1), one Fe(3), and one B(5) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the nineteenth O site, O(19) is bonded to one Li(7), one Mn(5), one Fe(1), and one B(6) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(6), one Mn(2), one Fe(3), and one B(1) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Li(7), one Mn(1), one Mn(5), and one B(5) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(8), one Mn(4), one Fe(2), and one B(7) atom. In the twenty-third O site, O(23) is bonded to one Li(8), one Mn(3), one Mn(4), and one B(8) atom to form distorted edge-sharing OLiMn2B tetrahedra. In the twenty-fourth O site, O(24) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(8), one Fe(1), and one B(8) atom. is represented by the CIF file [CIF]
data_Li8Mn5Fe3(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.246
_cell_length_b   6.050
_cell_length_c   16.187
_cell_angle_alpha   82.085
_cell_angle_beta   89.014
_cell_angle_gamma   89.012
_symmetry_Int_Tables_number   1
_cell_volume   508.649
_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  0.850  0.063  0.389  1.0
  Li  Li1  1  0.151  0.436  0.109  1.0
  Li  Li2  1  0.650  0.188  0.859  1.0
  Li  Li3  1  0.349  0.311  0.641  1.0
  Li  Li4  1  0.651  0.688  0.358  1.0
  Li  Li5  1  0.349  0.812  0.141  1.0
  Li  Li6  1  0.849  0.564  0.891  1.0
  Li  Li7  1  0.152  0.936  0.610  1.0
  Mn  Mn8  1  0.668  0.273  0.041  1.0
  Mn  Mn9  1  0.167  0.521  0.291  1.0
  Mn  Mn10  1  0.834  0.477  0.711  1.0
  Mn  Mn11  1  0.666  0.775  0.539  1.0
  Mn  Mn12  1  0.332  0.727  0.959  1.0
  Fe  Fe13  1  0.160  0.025  0.791  1.0
  Fe  Fe14  1  0.331  0.225  0.462  1.0
  Fe  Fe15  1  0.841  0.974  0.209  1.0
  B  B16  1  0.331  0.037  0.298  1.0
  B  B17  1  0.827  0.286  0.547  1.0
  B  B18  1  0.671  0.463  0.203  1.0
  B  B19  1  0.169  0.215  0.951  1.0
  B  B20  1  0.830  0.785  0.049  1.0
  B  B21  1  0.329  0.537  0.797  1.0
  B  B22  1  0.171  0.715  0.452  1.0
  B  B23  1  0.670  0.963  0.703  1.0
  O  O24  1  0.590  0.013  0.308  1.0
  O  O25  1  0.186  0.169  0.346  1.0
  O  O26  1  0.706  0.170  0.490  1.0
  O  O27  1  0.288  0.331  0.008  1.0
  O  O28  1  0.793  0.078  0.760  1.0
  O  O29  1  0.821  0.327  0.157  1.0
  O  O30  1  0.318  0.081  0.903  1.0
  O  O31  1  0.088  0.263  0.558  1.0
  O  O32  1  0.412  0.486  0.189  1.0
  O  O33  1  0.910  0.236  0.938  1.0
  O  O34  1  0.682  0.418  0.595  1.0
  O  O35  1  0.215  0.418  0.741  1.0
  O  O36  1  0.787  0.582  0.259  1.0
  O  O37  1  0.321  0.579  0.407  1.0
  O  O38  1  0.090  0.764  0.061  1.0
  O  O39  1  0.588  0.515  0.812  1.0
  O  O40  1  0.911  0.736  0.438  1.0
  O  O41  1  0.682  0.919  0.096  1.0
  O  O42  1  0.179  0.673  0.843  1.0
  O  O43  1  0.207  0.924  0.241  1.0
  O  O44  1  0.712  0.670  0.992  1.0
  O  O45  1  0.286  0.833  0.509  1.0
  O  O46  1  0.818  0.831  0.655  1.0
  O  O47  1  0.412  0.987  0.692  1.0
[/CIF]
.