The material described by Li8MnFe7(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(18), one O(24), one O(5), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(5)O5 trigonal bipyramid,  a cornercorner with one Fe(6)O5 trigonal bipyramid,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(12), one O(13), one O(2), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  a cornercorner with one Fe(6)O5 trigonal bipyramid,  a cornercorner with one Fe(7)O5 trigonal bipyramid,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(21), one O(4), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(5)O5 trigonal bipyramid,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Fe(6)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(11), one O(15), one O(19), and one O(20) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  a cornercorner with one Fe(5)O5 trigonal bipyramid,  an edgeedge with one Fe(7)O5 trigonal bipyramid, and  an edgeedge with one Li(8)O4 trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(10), one O(14), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(6)O5 trigonal bipyramid,  a cornercorner with one Fe(7)O5 trigonal bipyramid,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(16), one O(17), one O(21), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  a cornercorner with one Fe(5)O5 trigonal bipyramid,  a cornercorner with one Fe(6)O5 trigonal bipyramid,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the seventh Li site, Li(7) is bonded to one O(12), one O(13), one O(22), and one O(23) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(7)O5 trigonal bipyramid,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Fe(4)O5 trigonal bipyramid. In the eighth Li site, Li(8) is bonded to one O(1), one O(19), one O(20), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  a cornercorner with one Fe(7)O5 trigonal bipyramid,  an edgeedge with one Fe(5)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. Mn(1) is bonded to one O(10), one O(11), one O(2), one O(22), and one O(6) 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,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid,  an edgeedge with one Fe(3)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O4 trigonal pyramid. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(16), one O(22), and one O(4) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  a cornercorner with one Li(8)O4 trigonal pyramid,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(5)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(17), one O(24), one O(5), one O(7), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  a cornercorner with one Li(8)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Fe(4)O5 trigonal bipyramid, and  an edgeedge with one Fe(6)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(10), one O(12), one O(18), one O(2), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(5)O5 trigonal bipyramid. In the fourth Fe site, Fe(4) is bonded to one O(13), one O(15), one O(17), one O(23), and one O(7) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  a cornercorner with one Li(8)O4 trigonal pyramid,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(7)O5 trigonal bipyramid. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(16), one O(18), one O(20), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid,  an edgeedge with one Fe(3)O5 trigonal bipyramid, and  an edgeedge with one Li(8)O4 trigonal pyramid. In the sixth Fe site, Fe(6) is bonded to one O(14), one O(21), one O(24), one O(3), and one O(9) 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,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(7)O5 trigonal bipyramid. In the seventh Fe site, Fe(7) is bonded to one O(14), one O(15), one O(19), one O(23), and one O(3) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  a cornercorner with one Li(8)O4 trigonal pyramid,  an edgeedge with one Fe(4)O5 trigonal bipyramid,  an edgeedge with one Fe(6)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(23), one O(4), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(15), one O(3), and one O(6) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(14), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(11), one O(13), and one O(16) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(10), one O(19), and one O(22) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(17), one O(20), and one O(24) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(18), one O(2), and one O(21) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(8), one Fe(1), one Fe(5), and one B(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Fe(3), and one B(8) atom. In the third O site, O(3) is bonded to one Li(2), one Fe(6), one Fe(7), and one B(3) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(6), one Fe(1), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Fe(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Mn(1), and one B(3) atom. In the seventh O site, O(7) is bonded to one Li(8), one Fe(2), one Fe(4), and one B(1) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the eighth O site, O(8) is bonded to one Li(3), one Fe(3), one Fe(5), and one B(2) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(3), one Fe(2), one Fe(6), and one B(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(5), one Mn(1), one Fe(3), and one B(6) atom. In the eleventh O site, O(11) is bonded to one Li(4), one Mn(1), one Fe(1), and one B(5) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(7), one Fe(3), and one B(4) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(7), one Fe(4), and one B(5) atom. In the fourteenth O site, O(14) is bonded to one Li(5), one Fe(6), one Fe(7), and one B(4) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(4), one Fe(4), one Fe(7), and one B(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(6), one Fe(1), one Fe(5), and one B(5) atom. In the seventeenth O site, O(17) is bonded to one Li(6), one Fe(2), one Fe(4), and one B(7) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(1), one Fe(3), one Fe(5), and one B(8) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(8), one Fe(7), and one B(6) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(8), one Fe(5), and one B(7) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(6), one Fe(6), and one B(8) atom. In the twenty-second O site, O(22) is bonded to one Li(7), one Mn(1), one Fe(1), and one B(6) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Li(7), one Fe(4), one Fe(7), and one B(1) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Li(1), one Fe(2), one Fe(6), and one B(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8MnFe7(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   8.986
_cell_length_c   9.732
_cell_angle_alpha   81.215
_cell_angle_beta   79.684
_cell_angle_gamma   77.209
_symmetry_Int_Tables_number   1
_cell_volume   499.382
_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  0.971  0.966  0.701  1.0
  Li  Li1  1  0.721  0.467  0.953  1.0
  Li  Li2  1  0.779  0.534  0.548  1.0
  Li  Li3  1  0.473  0.967  0.204  1.0
  Li  Li4  1  0.528  0.035  0.796  1.0
  Li  Li5  1  0.221  0.465  0.453  1.0
  Li  Li6  1  0.281  0.533  0.049  1.0
  Li  Li7  1  0.028  0.034  0.297  1.0
  Mn  Mn8  1  0.789  0.793  0.979  1.0
  Fe  Fe9  1  0.963  0.704  0.278  1.0
  Fe  Fe10  1  0.711  0.210  0.524  1.0
  Fe  Fe11  1  0.463  0.705  0.775  1.0
  Fe  Fe12  1  0.540  0.291  0.225  1.0
  Fe  Fe13  1  0.288  0.796  0.475  1.0
  Fe  Fe14  1  0.039  0.292  0.725  1.0
  Fe  Fe15  1  0.212  0.204  0.025  1.0
  B  B16  1  0.982  0.366  0.277  1.0
  B  B17  1  0.732  0.868  0.527  1.0
  B  B18  1  0.768  0.135  0.970  1.0
  B  B19  1  0.480  0.368  0.778  1.0
  B  B20  1  0.516  0.632  0.225  1.0
  B  B21  1  0.233  0.867  0.028  1.0
  B  B22  1  0.270  0.133  0.472  1.0
  B  B23  1  0.018  0.632  0.721  1.0
  O  O24  1  0.908  0.865  0.410  1.0
  O  O25  1  0.841  0.634  0.835  1.0
  O  O26  1  0.888  0.256  0.937  1.0
  O  O27  1  0.932  0.485  0.360  1.0
  O  O28  1  0.684  0.987  0.610  1.0
  O  O29  1  0.815  0.018  0.886  1.0
  O  O30  1  0.863  0.244  0.313  1.0
  O  O31  1  0.613  0.747  0.562  1.0
  O  O32  1  0.654  0.365  0.661  1.0
  O  O33  1  0.406  0.864  0.911  1.0
  O  O34  1  0.635  0.754  0.192  1.0
  O  O35  1  0.432  0.486  0.861  1.0
  O  O36  1  0.567  0.515  0.141  1.0
  O  O37  1  0.360  0.246  0.814  1.0
  O  O38  1  0.594  0.137  0.088  1.0
  O  O39  1  0.339  0.635  0.340  1.0
  O  O40  1  0.389  0.255  0.436  1.0
  O  O41  1  0.139  0.753  0.686  1.0
  O  O42  1  0.184  0.986  0.110  1.0
  O  O43  1  0.317  0.014  0.390  1.0
  O  O44  1  0.068  0.513  0.638  1.0
  O  O45  1  0.115  0.745  0.065  1.0
  O  O46  1  0.158  0.364  0.162  1.0
  O  O47  1  0.096  0.136  0.589  1.0
[/CIF]
.
The material described by Li8MnFe7(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(18), one O(24), one O(5), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(5)O5 trigonal bipyramid,  a cornercorner with one Fe(6)O5 trigonal bipyramid,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(12), one O(13), one O(2), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  a cornercorner with one Fe(6)O5 trigonal bipyramid,  a cornercorner with one Fe(7)O5 trigonal bipyramid,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(21), one O(4), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(5)O5 trigonal bipyramid,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Fe(6)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(11), one O(15), one O(19), and one O(20) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  a cornercorner with one Fe(5)O5 trigonal bipyramid,  an edgeedge with one Fe(7)O5 trigonal bipyramid, and  an edgeedge with one Li(8)O4 trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(10), one O(14), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(6)O5 trigonal bipyramid,  a cornercorner with one Fe(7)O5 trigonal bipyramid,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(16), one O(17), one O(21), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  a cornercorner with one Fe(5)O5 trigonal bipyramid,  a cornercorner with one Fe(6)O5 trigonal bipyramid,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the seventh Li site, Li(7) is bonded to one O(12), one O(13), one O(22), and one O(23) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(7)O5 trigonal bipyramid,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Fe(4)O5 trigonal bipyramid. In the eighth Li site, Li(8) is bonded to one O(1), one O(19), one O(20), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  a cornercorner with one Fe(7)O5 trigonal bipyramid,  an edgeedge with one Fe(5)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. Mn(1) is bonded to one O(10), one O(11), one O(2), one O(22), and one O(6) 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,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid,  an edgeedge with one Fe(3)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O4 trigonal pyramid. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(16), one O(22), and one O(4) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  a cornercorner with one Li(8)O4 trigonal pyramid,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(5)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(17), one O(24), one O(5), one O(7), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  a cornercorner with one Li(8)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Fe(4)O5 trigonal bipyramid, and  an edgeedge with one Fe(6)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(10), one O(12), one O(18), one O(2), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(5)O5 trigonal bipyramid. In the fourth Fe site, Fe(4) is bonded to one O(13), one O(15), one O(17), one O(23), and one O(7) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  a cornercorner with one Li(8)O4 trigonal pyramid,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(7)O5 trigonal bipyramid. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(16), one O(18), one O(20), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid,  an edgeedge with one Fe(3)O5 trigonal bipyramid, and  an edgeedge with one Li(8)O4 trigonal pyramid. In the sixth Fe site, Fe(6) is bonded to one O(14), one O(21), one O(24), one O(3), and one O(9) 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,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(7)O5 trigonal bipyramid. In the seventh Fe site, Fe(7) is bonded to one O(14), one O(15), one O(19), one O(23), and one O(3) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  a cornercorner with one Li(8)O4 trigonal pyramid,  an edgeedge with one Fe(4)O5 trigonal bipyramid,  an edgeedge with one Fe(6)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(23), one O(4), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(15), one O(3), and one O(6) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(14), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(11), one O(13), and one O(16) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(10), one O(19), and one O(22) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(17), one O(20), and one O(24) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(18), one O(2), and one O(21) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(8), one Fe(1), one Fe(5), and one B(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Fe(3), and one B(8) atom. In the third O site, O(3) is bonded to one Li(2), one Fe(6), one Fe(7), and one B(3) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(6), one Fe(1), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Fe(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Mn(1), and one B(3) atom. In the seventh O site, O(7) is bonded to one Li(8), one Fe(2), one Fe(4), and one B(1) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the eighth O site, O(8) is bonded to one Li(3), one Fe(3), one Fe(5), and one B(2) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(3), one Fe(2), one Fe(6), and one B(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(5), one Mn(1), one Fe(3), and one B(6) atom. In the eleventh O site, O(11) is bonded to one Li(4), one Mn(1), one Fe(1), and one B(5) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(7), one Fe(3), and one B(4) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(7), one Fe(4), and one B(5) atom. In the fourteenth O site, O(14) is bonded to one Li(5), one Fe(6), one Fe(7), and one B(4) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(4), one Fe(4), one Fe(7), and one B(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(6), one Fe(1), one Fe(5), and one B(5) atom. In the seventeenth O site, O(17) is bonded to one Li(6), one Fe(2), one Fe(4), and one B(7) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(1), one Fe(3), one Fe(5), and one B(8) atom to form distorted edge-sharing OLiFe2B tetrahedra. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(8), one Fe(7), and one B(6) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(8), one Fe(5), and one B(7) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(6), one Fe(6), and one B(8) atom. In the twenty-second O site, O(22) is bonded to one Li(7), one Mn(1), one Fe(1), and one B(6) atom to form distorted edge-sharing OLiMnFeB tetrahedra. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Li(7), one Fe(4), one Fe(7), and one B(1) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Li(1), one Fe(2), one Fe(6), and one B(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8MnFe7(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   8.986
_cell_length_c   9.732
_cell_angle_alpha   81.215
_cell_angle_beta   79.684
_cell_angle_gamma   77.209
_symmetry_Int_Tables_number   1
_cell_volume   499.382
_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  0.971  0.966  0.701  1.0
  Li  Li1  1  0.721  0.467  0.953  1.0
  Li  Li2  1  0.779  0.534  0.548  1.0
  Li  Li3  1  0.473  0.967  0.204  1.0
  Li  Li4  1  0.528  0.035  0.796  1.0
  Li  Li5  1  0.221  0.465  0.453  1.0
  Li  Li6  1  0.281  0.533  0.049  1.0
  Li  Li7  1  0.028  0.034  0.297  1.0
  Mn  Mn8  1  0.789  0.793  0.979  1.0
  Fe  Fe9  1  0.963  0.704  0.278  1.0
  Fe  Fe10  1  0.711  0.210  0.524  1.0
  Fe  Fe11  1  0.463  0.705  0.775  1.0
  Fe  Fe12  1  0.540  0.291  0.225  1.0
  Fe  Fe13  1  0.288  0.796  0.475  1.0
  Fe  Fe14  1  0.039  0.292  0.725  1.0
  Fe  Fe15  1  0.212  0.204  0.025  1.0
  B  B16  1  0.982  0.366  0.277  1.0
  B  B17  1  0.732  0.868  0.527  1.0
  B  B18  1  0.768  0.135  0.970  1.0
  B  B19  1  0.480  0.368  0.778  1.0
  B  B20  1  0.516  0.632  0.225  1.0
  B  B21  1  0.233  0.867  0.028  1.0
  B  B22  1  0.270  0.133  0.472  1.0
  B  B23  1  0.018  0.632  0.721  1.0
  O  O24  1  0.908  0.865  0.410  1.0
  O  O25  1  0.841  0.634  0.835  1.0
  O  O26  1  0.888  0.256  0.937  1.0
  O  O27  1  0.932  0.485  0.360  1.0
  O  O28  1  0.684  0.987  0.610  1.0
  O  O29  1  0.815  0.018  0.886  1.0
  O  O30  1  0.863  0.244  0.313  1.0
  O  O31  1  0.613  0.747  0.562  1.0
  O  O32  1  0.654  0.365  0.661  1.0
  O  O33  1  0.406  0.864  0.911  1.0
  O  O34  1  0.635  0.754  0.192  1.0
  O  O35  1  0.432  0.486  0.861  1.0
  O  O36  1  0.567  0.515  0.141  1.0
  O  O37  1  0.360  0.246  0.814  1.0
  O  O38  1  0.594  0.137  0.088  1.0
  O  O39  1  0.339  0.635  0.340  1.0
  O  O40  1  0.389  0.255  0.436  1.0
  O  O41  1  0.139  0.753  0.686  1.0
  O  O42  1  0.184  0.986  0.110  1.0
  O  O43  1  0.317  0.014  0.390  1.0
  O  O44  1  0.068  0.513  0.638  1.0
  O  O45  1  0.115  0.745  0.065  1.0
  O  O46  1  0.158  0.364  0.162  1.0
  O  O47  1  0.096  0.136  0.589  1.0
[/CIF]
.