The material structure described by Li6Mn5Fe(BO3)6 crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(12), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid, corners with two equivalent Li(3)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), two equivalent O(7), and two equivalent O(8) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Mn(2)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(5), two equivalent O(7), and two equivalent O(8) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to one O(9), two equivalent O(12), and two equivalent O(6) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Mn(4)O5 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded to one O(10), two equivalent O(12), and two equivalent O(6) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Mn(3)O5 trigonal bipyramids. In the fifth Mn site, Mn(5) is bonded to one O(1), two equivalent O(11), and two equivalent O(3) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. Fe(1) is bonded to one O(2), two equivalent O(11), and two equivalent O(3) atoms to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Mn(5)O5 square pyramids. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(6), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(4) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Mn(5), and one B(4) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(5)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra, corners with two equivalent O(2)Li2FeB tetrahedra, corners with two equivalent O(6)LiMn2B tetrahedra, corners with two equivalent O(8)LiMn2B tetrahedra, corners with two equivalent O(11)LiMnFeB tetrahedra, and corners with two equivalent O(3)LiMnFeB tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one Fe(1), and one B(3) atom to form distorted OLi2FeB tetrahedra that share  a cornercorner with one O(10)Li2MnB tetrahedra,  a cornercorner with one O(4)Li2MnB tetrahedra, corners with two equivalent O(1)Li2MnB tetrahedra, corners with two equivalent O(6)LiMn2B tetrahedra, corners with two equivalent O(8)LiMn2B tetrahedra, corners with two equivalent O(11)LiMnFeB tetrahedra, and corners with two equivalent O(3)LiMnFeB tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Mn(5), one Fe(1), and one B(1) atom to form distorted OLiMnFeB tetrahedra that share  a cornercorner with one O(2)Li2FeB tetrahedra,  a cornercorner with one O(1)Li2MnB tetrahedra,  a cornercorner with one O(4)Li2MnB tetrahedra,  a cornercorner with one O(5)Li2MnB tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra,  a cornercorner with one O(6)LiMn2B tetrahedra,  a cornercorner with one O(7)LiMn2B tetrahedra, corners with two equivalent O(11)LiMnFeB tetrahedra, corners with two equivalent O(3)LiMnFeB tetrahedra, and  an edgeedge with one O(11)LiMnFeB tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Mn(1), and one B(3) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(2)Li2FeB tetrahedra,  a cornercorner with one O(10)Li2MnB tetrahedra, corners with two equivalent O(5)Li2MnB tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, corners with two equivalent O(7)LiMn2B tetrahedra, corners with two equivalent O(8)LiMn2B tetrahedra, and corners with two equivalent O(3)LiMnFeB tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Mn(2), and one B(4) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(1)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra, corners with two equivalent O(4)Li2MnB tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, corners with two equivalent O(7)LiMn2B tetrahedra, corners with two equivalent O(8)LiMn2B tetrahedra, and corners with two equivalent O(3)LiMnFeB tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), one Mn(3), one Mn(4), and one B(1) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(2)Li2FeB tetrahedra,  a cornercorner with one O(1)Li2MnB tetrahedra,  a cornercorner with one O(10)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra,  a cornercorner with one O(7)LiMn2B tetrahedra,  a cornercorner with one O(8)LiMn2B tetrahedra,  a cornercorner with one O(3)LiMnFeB tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, corners with two equivalent O(6)LiMn2B tetrahedra, and  an edgeedge with one O(12)LiMn2B tetrahedra. In the seventh O site, O(7) is bonded to one Li(3), one Mn(1), one Mn(2), and one B(1) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(10)Li2MnB tetrahedra,  a cornercorner with one O(4)Li2MnB tetrahedra,  a cornercorner with one O(5)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra,  a cornercorner with one O(6)LiMn2B tetrahedra,  a cornercorner with one O(11)LiMnFeB tetrahedra,  a cornercorner with one O(3)LiMnFeB tetrahedra, corners with two equivalent O(7)LiMn2B tetrahedra, corners with two equivalent O(8)LiMn2B tetrahedra, and  an edgeedge with one O(8)LiMn2B tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Mn(1), one Mn(2), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(2)Li2FeB tetrahedra,  a cornercorner with one O(1)Li2MnB tetrahedra,  a cornercorner with one O(4)Li2MnB tetrahedra,  a cornercorner with one O(5)Li2MnB tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra,  a cornercorner with one O(6)LiMn2B tetrahedra,  a cornercorner with one O(11)LiMnFeB tetrahedra, corners with two equivalent O(7)LiMn2B tetrahedra, corners with two equivalent O(8)LiMn2B tetrahedra, and  an edgeedge with one O(7)LiMn2B tetrahedra. In the ninth O site, O(9) is bonded to two equivalent Li(3), one Mn(3), and one B(4) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(1)Li2MnB tetrahedra,  a cornercorner with one O(5)Li2MnB tetrahedra, corners with two equivalent O(10)Li2MnB tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, corners with two equivalent O(6)LiMn2B tetrahedra, corners with two equivalent O(7)LiMn2B tetrahedra, and corners with two equivalent O(11)LiMnFeB tetrahedra. In the tenth O site, O(10) is bonded to two equivalent Li(3), one Mn(4), and one B(3) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(2)Li2FeB tetrahedra,  a cornercorner with one O(4)Li2MnB tetrahedra, corners with two equivalent O(9)Li2MnB tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, corners with two equivalent O(6)LiMn2B tetrahedra, corners with two equivalent O(7)LiMn2B tetrahedra, and corners with two equivalent O(11)LiMnFeB tetrahedra. In the eleventh O site, O(11) is bonded to one Li(3), one Mn(5), one Fe(1), and one B(2) atom to form distorted OLiMnFeB tetrahedra that share  a cornercorner with one O(2)Li2FeB tetrahedra,  a cornercorner with one O(1)Li2MnB tetrahedra,  a cornercorner with one O(10)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra,  a cornercorner with one O(7)LiMn2B tetrahedra,  a cornercorner with one O(8)LiMn2B tetrahedra, corners with two equivalent O(11)LiMnFeB tetrahedra, corners with two equivalent O(3)LiMnFeB tetrahedra, and  an edgeedge with one O(3)LiMnFeB tetrahedra. In the twelfth O site, O(12) is bonded to one Li(2), one Mn(3), one Mn(4), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(10)Li2MnB tetrahedra,  a cornercorner with one O(4)Li2MnB tetrahedra,  a cornercorner with one O(5)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra,  a cornercorner with one O(8)LiMn2B tetrahedra,  a cornercorner with one O(11)LiMnFeB tetrahedra,  a cornercorner with one O(3)LiMnFeB tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, corners with two equivalent O(6)LiMn2B tetrahedra, and  an edgeedge with one O(6)LiMn2B tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Mn5Fe(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.853
_cell_length_b   8.853
_cell_length_c   8.273
_cell_angle_alpha   62.256
_cell_angle_beta   62.256
_cell_angle_gamma   42.188
_symmetry_Int_Tables_number   1
_cell_volume   377.357
_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  0.240  0.741  0.302  1.0
  Li  Li1  1  0.741  0.240  0.302  1.0
  Li  Li2  1  0.401  0.900  0.716  1.0
  Li  Li3  1  0.900  0.401  0.716  1.0
  Li  Li4  1  0.107  0.608  0.983  1.0
  Li  Li5  1  0.608  0.107  0.983  1.0
  Mn  Mn6  1  0.180  0.180  0.012  1.0
  Mn  Mn7  1  0.680  0.680  0.012  1.0
  Mn  Mn8  1  0.506  0.506  0.629  1.0
  Mn  Mn9  1  0.006  0.006  0.628  1.0
  Mn  Mn10  1  0.314  0.314  0.359  1.0
  Fe  Fe11  1  0.816  0.816  0.360  1.0
  B  B12  1  0.585  0.082  0.666  1.0
  B  B13  1  0.082  0.585  0.666  1.0
  B  B14  1  0.418  0.916  0.333  1.0
  B  B15  1  0.916  0.418  0.333  1.0
  B  B16  1  0.999  0.999  0.000  1.0
  B  B17  1  0.500  0.500  0.000  1.0
  O  O18  1  0.461  0.461  0.193  1.0
  O  O19  1  0.958  0.958  0.195  1.0
  O  O20  1  0.036  0.544  0.558  1.0
  O  O21  1  0.544  0.036  0.558  1.0
  O  O22  1  0.096  0.096  0.887  1.0
  O  O23  1  0.597  0.597  0.884  1.0
  O  O24  1  0.680  0.180  0.580  1.0
  O  O25  1  0.180  0.680  0.580  1.0
  O  O26  1  0.030  0.530  0.859  1.0
  O  O27  1  0.530  0.030  0.859  1.0
  O  O28  1  0.375  0.876  0.222  1.0
  O  O29  1  0.876  0.375  0.222  1.0
  O  O30  1  0.442  0.442  0.922  1.0
  O  O31  1  0.942  0.942  0.921  1.0
  O  O32  1  0.517  0.012  0.252  1.0
  O  O33  1  0.012  0.517  0.252  1.0
  O  O34  1  0.362  0.861  0.527  1.0
  O  O35  1  0.861  0.362  0.527  1.0
[/CIF]
.
The material structure described by Li6Mn5Fe(BO3)6 crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(12), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid, corners with two equivalent Li(3)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), two equivalent O(7), and two equivalent O(8) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Mn(2)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(5), two equivalent O(7), and two equivalent O(8) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to one O(9), two equivalent O(12), and two equivalent O(6) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Mn(4)O5 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded to one O(10), two equivalent O(12), and two equivalent O(6) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Mn(3)O5 trigonal bipyramids. In the fifth Mn site, Mn(5) is bonded to one O(1), two equivalent O(11), and two equivalent O(3) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. Fe(1) is bonded to one O(2), two equivalent O(11), and two equivalent O(3) atoms to form distorted FeO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and edges with two equivalent Mn(5)O5 square pyramids. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(6), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(4) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Mn(5), and one B(4) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(5)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra, corners with two equivalent O(2)Li2FeB tetrahedra, corners with two equivalent O(6)LiMn2B tetrahedra, corners with two equivalent O(8)LiMn2B tetrahedra, corners with two equivalent O(11)LiMnFeB tetrahedra, and corners with two equivalent O(3)LiMnFeB tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one Fe(1), and one B(3) atom to form distorted OLi2FeB tetrahedra that share  a cornercorner with one O(10)Li2MnB tetrahedra,  a cornercorner with one O(4)Li2MnB tetrahedra, corners with two equivalent O(1)Li2MnB tetrahedra, corners with two equivalent O(6)LiMn2B tetrahedra, corners with two equivalent O(8)LiMn2B tetrahedra, corners with two equivalent O(11)LiMnFeB tetrahedra, and corners with two equivalent O(3)LiMnFeB tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Mn(5), one Fe(1), and one B(1) atom to form distorted OLiMnFeB tetrahedra that share  a cornercorner with one O(2)Li2FeB tetrahedra,  a cornercorner with one O(1)Li2MnB tetrahedra,  a cornercorner with one O(4)Li2MnB tetrahedra,  a cornercorner with one O(5)Li2MnB tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra,  a cornercorner with one O(6)LiMn2B tetrahedra,  a cornercorner with one O(7)LiMn2B tetrahedra, corners with two equivalent O(11)LiMnFeB tetrahedra, corners with two equivalent O(3)LiMnFeB tetrahedra, and  an edgeedge with one O(11)LiMnFeB tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Mn(1), and one B(3) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(2)Li2FeB tetrahedra,  a cornercorner with one O(10)Li2MnB tetrahedra, corners with two equivalent O(5)Li2MnB tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, corners with two equivalent O(7)LiMn2B tetrahedra, corners with two equivalent O(8)LiMn2B tetrahedra, and corners with two equivalent O(3)LiMnFeB tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Mn(2), and one B(4) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(1)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra, corners with two equivalent O(4)Li2MnB tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, corners with two equivalent O(7)LiMn2B tetrahedra, corners with two equivalent O(8)LiMn2B tetrahedra, and corners with two equivalent O(3)LiMnFeB tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), one Mn(3), one Mn(4), and one B(1) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(2)Li2FeB tetrahedra,  a cornercorner with one O(1)Li2MnB tetrahedra,  a cornercorner with one O(10)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra,  a cornercorner with one O(7)LiMn2B tetrahedra,  a cornercorner with one O(8)LiMn2B tetrahedra,  a cornercorner with one O(3)LiMnFeB tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, corners with two equivalent O(6)LiMn2B tetrahedra, and  an edgeedge with one O(12)LiMn2B tetrahedra. In the seventh O site, O(7) is bonded to one Li(3), one Mn(1), one Mn(2), and one B(1) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(10)Li2MnB tetrahedra,  a cornercorner with one O(4)Li2MnB tetrahedra,  a cornercorner with one O(5)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra,  a cornercorner with one O(6)LiMn2B tetrahedra,  a cornercorner with one O(11)LiMnFeB tetrahedra,  a cornercorner with one O(3)LiMnFeB tetrahedra, corners with two equivalent O(7)LiMn2B tetrahedra, corners with two equivalent O(8)LiMn2B tetrahedra, and  an edgeedge with one O(8)LiMn2B tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Mn(1), one Mn(2), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(2)Li2FeB tetrahedra,  a cornercorner with one O(1)Li2MnB tetrahedra,  a cornercorner with one O(4)Li2MnB tetrahedra,  a cornercorner with one O(5)Li2MnB tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra,  a cornercorner with one O(6)LiMn2B tetrahedra,  a cornercorner with one O(11)LiMnFeB tetrahedra, corners with two equivalent O(7)LiMn2B tetrahedra, corners with two equivalent O(8)LiMn2B tetrahedra, and  an edgeedge with one O(7)LiMn2B tetrahedra. In the ninth O site, O(9) is bonded to two equivalent Li(3), one Mn(3), and one B(4) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(1)Li2MnB tetrahedra,  a cornercorner with one O(5)Li2MnB tetrahedra, corners with two equivalent O(10)Li2MnB tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, corners with two equivalent O(6)LiMn2B tetrahedra, corners with two equivalent O(7)LiMn2B tetrahedra, and corners with two equivalent O(11)LiMnFeB tetrahedra. In the tenth O site, O(10) is bonded to two equivalent Li(3), one Mn(4), and one B(3) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(2)Li2FeB tetrahedra,  a cornercorner with one O(4)Li2MnB tetrahedra, corners with two equivalent O(9)Li2MnB tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, corners with two equivalent O(6)LiMn2B tetrahedra, corners with two equivalent O(7)LiMn2B tetrahedra, and corners with two equivalent O(11)LiMnFeB tetrahedra. In the eleventh O site, O(11) is bonded to one Li(3), one Mn(5), one Fe(1), and one B(2) atom to form distorted OLiMnFeB tetrahedra that share  a cornercorner with one O(2)Li2FeB tetrahedra,  a cornercorner with one O(1)Li2MnB tetrahedra,  a cornercorner with one O(10)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra,  a cornercorner with one O(7)LiMn2B tetrahedra,  a cornercorner with one O(8)LiMn2B tetrahedra, corners with two equivalent O(11)LiMnFeB tetrahedra, corners with two equivalent O(3)LiMnFeB tetrahedra, and  an edgeedge with one O(3)LiMnFeB tetrahedra. In the twelfth O site, O(12) is bonded to one Li(2), one Mn(3), one Mn(4), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(10)Li2MnB tetrahedra,  a cornercorner with one O(4)Li2MnB tetrahedra,  a cornercorner with one O(5)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra,  a cornercorner with one O(8)LiMn2B tetrahedra,  a cornercorner with one O(11)LiMnFeB tetrahedra,  a cornercorner with one O(3)LiMnFeB tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, corners with two equivalent O(6)LiMn2B tetrahedra, and  an edgeedge with one O(6)LiMn2B tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Mn5Fe(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.853
_cell_length_b   8.853
_cell_length_c   8.273
_cell_angle_alpha   62.256
_cell_angle_beta   62.256
_cell_angle_gamma   42.188
_symmetry_Int_Tables_number   1
_cell_volume   377.357
_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  0.240  0.741  0.302  1.0
  Li  Li1  1  0.741  0.240  0.302  1.0
  Li  Li2  1  0.401  0.900  0.716  1.0
  Li  Li3  1  0.900  0.401  0.716  1.0
  Li  Li4  1  0.107  0.608  0.983  1.0
  Li  Li5  1  0.608  0.107  0.983  1.0
  Mn  Mn6  1  0.180  0.180  0.012  1.0
  Mn  Mn7  1  0.680  0.680  0.012  1.0
  Mn  Mn8  1  0.506  0.506  0.629  1.0
  Mn  Mn9  1  0.006  0.006  0.628  1.0
  Mn  Mn10  1  0.314  0.314  0.359  1.0
  Fe  Fe11  1  0.816  0.816  0.360  1.0
  B  B12  1  0.585  0.082  0.666  1.0
  B  B13  1  0.082  0.585  0.666  1.0
  B  B14  1  0.418  0.916  0.333  1.0
  B  B15  1  0.916  0.418  0.333  1.0
  B  B16  1  0.999  0.999  0.000  1.0
  B  B17  1  0.500  0.500  0.000  1.0
  O  O18  1  0.461  0.461  0.193  1.0
  O  O19  1  0.958  0.958  0.195  1.0
  O  O20  1  0.036  0.544  0.558  1.0
  O  O21  1  0.544  0.036  0.558  1.0
  O  O22  1  0.096  0.096  0.887  1.0
  O  O23  1  0.597  0.597  0.884  1.0
  O  O24  1  0.680  0.180  0.580  1.0
  O  O25  1  0.180  0.680  0.580  1.0
  O  O26  1  0.030  0.530  0.859  1.0
  O  O27  1  0.530  0.030  0.859  1.0
  O  O28  1  0.375  0.876  0.222  1.0
  O  O29  1  0.876  0.375  0.222  1.0
  O  O30  1  0.442  0.442  0.922  1.0
  O  O31  1  0.942  0.942  0.921  1.0
  O  O32  1  0.517  0.012  0.252  1.0
  O  O33  1  0.012  0.517  0.252  1.0
  O  O34  1  0.362  0.861  0.527  1.0
  O  O35  1  0.861  0.362  0.527  1.0
[/CIF]
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