The material structure described by Li8Mn7Fe(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(10), one O(19), one O(21), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(6)O5 trigonal bipyramid, corners with two equivalent Mn(5)O5 trigonal bipyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(17), one O(3), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Fe(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(14), one O(18), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Mn(7)O5 trigonal bipyramids, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(11), one O(13), one O(17), and one O(23) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two equivalent Mn(6)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the fifth Li site, Li(5) is bonded to one O(11), one O(14), one O(20), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(7)O5 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(12), one O(2), one O(24), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Mn(7)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Mn(6)O5 trigonal bipyramid. In the seventh Li site, Li(7) is bonded to one O(1), one O(15), one O(4), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(5)O5 trigonal bipyramid,  a cornercorner with one Mn(7)O5 trigonal bipyramid, corners with two equivalent Mn(3)O5 trigonal bipyramids, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the eighth Li site, Li(8) is bonded to one O(16), one O(21), one O(22), and one O(24) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(6)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Mn(4)O5 trigonal bipyramids, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(19), one O(20), one O(23), and one O(5) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Mn(6)O5 trigonal bipyramid, and  an edgeedge with one Mn(7)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(13), one O(2), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Mn(6)O5 trigonal bipyramid, and  an edgeedge with one Mn(7)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(10), one O(15), one O(18), one O(4), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(5)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(16), one O(17), one O(22), one O(3), and one O(7) 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(2)O4 tetrahedra,  an edgeedge with one Mn(5)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(15), one O(16), one O(21), and one O(7) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the sixth Mn site, Mn(6) is bonded to one O(12), one O(13), one O(19), one O(23), and one O(24) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the seventh Mn site, Mn(7) is bonded to one O(14), one O(2), one O(20), one O(5), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(3)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. Fe(1) is bonded to one O(18), one O(22), one O(3), one O(8), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)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(20), one O(21), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), 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(16), and one O(24) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(14), one O(15), and one O(6) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(19) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(9) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(17), one O(22), and one O(23) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(18), one O(4), 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(2), one Li(7), one Mn(2), and one B(6) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(6), one Mn(2), one Mn(7), and one B(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Mn(4), one Fe(1), and one B(2) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(7), one Mn(3), and one B(8) atom to form distorted corner-sharing OLi2MnB trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(3), one Mn(1), one Mn(7), and one B(8) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(7), one Mn(2), one Mn(7), and one B(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(5), one Mn(4), one Mn(5), and one B(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(6), one Fe(1), and one B(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(2), one Mn(3), one Fe(1), and one B(6) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(5), and one B(5) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(5), one Mn(1), and one B(5) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one Mn(2), one Mn(6), and one B(6) atom. In the thirteenth O site, O(13) is bonded to one Li(4), one Mn(2), one Mn(6), and one B(3) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(5), one Mn(7), and one B(4) atom to form distorted corner-sharing OLi2MnB trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Li(7), one Mn(3), one Mn(5), and one B(4) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(8), one Mn(4), one Mn(5), and one B(3) atom. In the seventeenth O site, O(17) is bonded to one Li(2), one Li(4), one Mn(4), and one B(7) atom to form distorted OLi2MnB trigonal pyramids that share  a cornercorner with one O(13)LiMn2B tetrahedra and corners with two equivalent O(22)LiMnFeB tetrahedra. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(3), one Fe(1), and one B(8) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(6), and one B(5) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Mn(1), one Mn(7), and one B(1) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(8), one Mn(5), and one B(1) atom. In the twenty-second O site, O(22) is bonded to one Li(8), one Mn(4), one Fe(1), and one B(7) atom to form distorted corner-sharing OLiMnFeB tetrahedra. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(1), one Mn(6), and one B(7) atom. In the twenty-fourth O site, O(24) is bonded to one Li(6), one Li(8), one Mn(6), and one B(3) atom to form distorted OLi2MnB trigonal pyramids that share  a cornercorner with one O(22)LiMnFeB tetrahedra and corners with two equivalent O(13)LiMn2B tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8Mn7Fe(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.257
_cell_length_b   9.117
_cell_length_c   11.602
_cell_angle_alpha   111.424
_cell_angle_beta   102.296
_cell_angle_gamma   89.879
_symmetry_Int_Tables_number   1
_cell_volume   503.974
_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  0.030  0.040  0.418  1.0
  Li  Li1  1  0.296  0.285  0.918  1.0
  Li  Li2  1  0.481  0.507  0.667  1.0
  Li  Li3  1  0.272  0.245  0.168  1.0
  Li  Li4  1  0.529  0.540  0.418  1.0
  Li  Li5  1  0.797  0.784  0.918  1.0
  Li  Li6  1  0.980  0.008  0.668  1.0
  Li  Li7  1  0.772  0.744  0.168  1.0
  Mn  Mn8  1  0.023  0.356  0.383  1.0
  Mn  Mn9  1  0.273  0.940  0.883  1.0
  Mn  Mn10  1  0.477  0.157  0.635  1.0
  Mn  Mn11  1  0.242  0.564  0.132  1.0
  Mn  Mn12  1  0.523  0.856  0.383  1.0
  Mn  Mn13  1  0.745  0.066  0.133  1.0
  Mn  Mn14  1  0.976  0.655  0.633  1.0
  Fe  Fe15  1  0.767  0.441  0.883  1.0
  B  B16  1  0.024  0.686  0.376  1.0
  B  B17  1  0.264  0.602  0.876  1.0
  B  B18  1  0.236  0.892  0.126  1.0
  B  B19  1  0.470  0.815  0.626  1.0
  B  B20  1  0.524  0.186  0.376  1.0
  B  B21  1  0.768  0.106  0.876  1.0
  B  B22  1  0.735  0.392  0.125  1.0
  B  B23  1  0.971  0.315  0.627  1.0
  O  O24  1  0.022  0.110  0.861  1.0
  O  O25  1  0.101  0.711  0.846  1.0
  O  O26  1  0.168  0.491  0.915  1.0
  O  O27  1  0.072  0.170  0.612  1.0
  O  O28  1  0.102  0.425  0.596  1.0
  O  O29  1  0.238  0.850  0.667  1.0
  O  O30  1  0.268  0.654  0.345  1.0
  O  O31  1  0.521  0.606  0.863  1.0
  O  O32  1  0.603  0.215  0.847  1.0
  O  O33  1  0.403  0.085  0.418  1.0
  O  O34  1  0.405  0.315  0.361  1.0
  O  O35  1  0.676  0.994  0.917  1.0
  O  O36  1  0.336  0.013  0.096  1.0
  O  O37  1  0.571  0.670  0.612  1.0
  O  O38  1  0.601  0.925  0.596  1.0
  O  O39  1  0.405  0.793  0.166  1.0
  O  O40  1  0.468  0.371  0.111  1.0
  O  O41  1  0.740  0.351  0.668  1.0
  O  O42  1  0.769  0.154  0.345  1.0
  O  O43  1  0.903  0.585  0.418  1.0
  O  O44  1  0.905  0.815  0.361  1.0
  O  O45  1  0.835  0.512  0.094  1.0
  O  O46  1  0.905  0.294  0.166  1.0
  O  O47  1  0.969  0.871  0.111  1.0
[/CIF]
.
The material structure described by Li8Mn7Fe(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(10), one O(19), one O(21), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(6)O5 trigonal bipyramid, corners with two equivalent Mn(5)O5 trigonal bipyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(17), one O(3), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Fe(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(14), one O(18), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Mn(7)O5 trigonal bipyramids, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(11), one O(13), one O(17), and one O(23) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two equivalent Mn(6)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the fifth Li site, Li(5) is bonded to one O(11), one O(14), one O(20), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(7)O5 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(12), one O(2), one O(24), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Mn(7)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Mn(6)O5 trigonal bipyramid. In the seventh Li site, Li(7) is bonded to one O(1), one O(15), one O(4), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(5)O5 trigonal bipyramid,  a cornercorner with one Mn(7)O5 trigonal bipyramid, corners with two equivalent Mn(3)O5 trigonal bipyramids, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the eighth Li site, Li(8) is bonded to one O(16), one O(21), one O(22), and one O(24) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(6)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Mn(4)O5 trigonal bipyramids, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(19), one O(20), one O(23), and one O(5) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Mn(6)O5 trigonal bipyramid, and  an edgeedge with one Mn(7)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(13), one O(2), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Mn(6)O5 trigonal bipyramid, and  an edgeedge with one Mn(7)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(10), one O(15), one O(18), one O(4), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(5)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(16), one O(17), one O(22), one O(3), and one O(7) 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(2)O4 tetrahedra,  an edgeedge with one Mn(5)O5 trigonal bipyramid, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(15), one O(16), one O(21), and one O(7) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the sixth Mn site, Mn(6) is bonded to one O(12), one O(13), one O(19), one O(23), and one O(24) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the seventh Mn site, Mn(7) is bonded to one O(14), one O(2), one O(20), one O(5), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(3)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. Fe(1) is bonded to one O(18), one O(22), one O(3), one O(8), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)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(20), one O(21), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), 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(16), and one O(24) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(14), one O(15), and one O(6) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(19) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(9) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(17), one O(22), and one O(23) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(18), one O(4), 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(2), one Li(7), one Mn(2), and one B(6) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(6), one Mn(2), one Mn(7), and one B(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Mn(4), one Fe(1), and one B(2) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(7), one Mn(3), and one B(8) atom to form distorted corner-sharing OLi2MnB trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(3), one Mn(1), one Mn(7), and one B(8) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(7), one Mn(2), one Mn(7), and one B(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(5), one Mn(4), one Mn(5), and one B(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(6), one Fe(1), and one B(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(2), one Mn(3), one Fe(1), and one B(6) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(5), and one B(5) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(5), one Mn(1), and one B(5) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one Mn(2), one Mn(6), and one B(6) atom. In the thirteenth O site, O(13) is bonded to one Li(4), one Mn(2), one Mn(6), and one B(3) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(5), one Mn(7), and one B(4) atom to form distorted corner-sharing OLi2MnB trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Li(7), one Mn(3), one Mn(5), and one B(4) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(8), one Mn(4), one Mn(5), and one B(3) atom. In the seventeenth O site, O(17) is bonded to one Li(2), one Li(4), one Mn(4), and one B(7) atom to form distorted OLi2MnB trigonal pyramids that share  a cornercorner with one O(13)LiMn2B tetrahedra and corners with two equivalent O(22)LiMnFeB tetrahedra. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(3), one Fe(1), and one B(8) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(6), and one B(5) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Mn(1), one Mn(7), and one B(1) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(8), one Mn(5), and one B(1) atom. In the twenty-second O site, O(22) is bonded to one Li(8), one Mn(4), one Fe(1), and one B(7) atom to form distorted corner-sharing OLiMnFeB tetrahedra. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(1), one Mn(6), and one B(7) atom. In the twenty-fourth O site, O(24) is bonded to one Li(6), one Li(8), one Mn(6), and one B(3) atom to form distorted OLi2MnB trigonal pyramids that share  a cornercorner with one O(22)LiMnFeB tetrahedra and corners with two equivalent O(13)LiMn2B tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8Mn7Fe(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.257
_cell_length_b   9.117
_cell_length_c   11.602
_cell_angle_alpha   111.424
_cell_angle_beta   102.296
_cell_angle_gamma   89.879
_symmetry_Int_Tables_number   1
_cell_volume   503.974
_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  0.030  0.040  0.418  1.0
  Li  Li1  1  0.296  0.285  0.918  1.0
  Li  Li2  1  0.481  0.507  0.667  1.0
  Li  Li3  1  0.272  0.245  0.168  1.0
  Li  Li4  1  0.529  0.540  0.418  1.0
  Li  Li5  1  0.797  0.784  0.918  1.0
  Li  Li6  1  0.980  0.008  0.668  1.0
  Li  Li7  1  0.772  0.744  0.168  1.0
  Mn  Mn8  1  0.023  0.356  0.383  1.0
  Mn  Mn9  1  0.273  0.940  0.883  1.0
  Mn  Mn10  1  0.477  0.157  0.635  1.0
  Mn  Mn11  1  0.242  0.564  0.132  1.0
  Mn  Mn12  1  0.523  0.856  0.383  1.0
  Mn  Mn13  1  0.745  0.066  0.133  1.0
  Mn  Mn14  1  0.976  0.655  0.633  1.0
  Fe  Fe15  1  0.767  0.441  0.883  1.0
  B  B16  1  0.024  0.686  0.376  1.0
  B  B17  1  0.264  0.602  0.876  1.0
  B  B18  1  0.236  0.892  0.126  1.0
  B  B19  1  0.470  0.815  0.626  1.0
  B  B20  1  0.524  0.186  0.376  1.0
  B  B21  1  0.768  0.106  0.876  1.0
  B  B22  1  0.735  0.392  0.125  1.0
  B  B23  1  0.971  0.315  0.627  1.0
  O  O24  1  0.022  0.110  0.861  1.0
  O  O25  1  0.101  0.711  0.846  1.0
  O  O26  1  0.168  0.491  0.915  1.0
  O  O27  1  0.072  0.170  0.612  1.0
  O  O28  1  0.102  0.425  0.596  1.0
  O  O29  1  0.238  0.850  0.667  1.0
  O  O30  1  0.268  0.654  0.345  1.0
  O  O31  1  0.521  0.606  0.863  1.0
  O  O32  1  0.603  0.215  0.847  1.0
  O  O33  1  0.403  0.085  0.418  1.0
  O  O34  1  0.405  0.315  0.361  1.0
  O  O35  1  0.676  0.994  0.917  1.0
  O  O36  1  0.336  0.013  0.096  1.0
  O  O37  1  0.571  0.670  0.612  1.0
  O  O38  1  0.601  0.925  0.596  1.0
  O  O39  1  0.405  0.793  0.166  1.0
  O  O40  1  0.468  0.371  0.111  1.0
  O  O41  1  0.740  0.351  0.668  1.0
  O  O42  1  0.769  0.154  0.345  1.0
  O  O43  1  0.903  0.585  0.418  1.0
  O  O44  1  0.905  0.815  0.361  1.0
  O  O45  1  0.835  0.512  0.094  1.0
  O  O46  1  0.905  0.294  0.166  1.0
  O  O47  1  0.969  0.871  0.111  1.0
[/CIF]
.