Li3Mn2Fe(BO3)3 crystallizes in the monoclinic Pm space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(6), and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with two equivalent Mn(2)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(11), one O(4), and two equivalent O(8) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(3)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(3), one O(7), and two equivalent O(9) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(4)O5 trigonal bipyramids. In the fourth Li site, Li(4) is bonded to one O(1), one O(15), and two equivalent O(14) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Mn(3)O5 trigonal bipyramids, and corners with two equivalent Mn(4)O5 trigonal bipyramids. In the fifth Li site, Li(5) is bonded to one O(13), one O(2), and two equivalent O(17) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Mn(2)O5 trigonal bipyramids, and corners with two equivalent Mn(4)O5 trigonal bipyramids. In the sixth Li site, Li(6) is bonded to one O(12), one O(16), and two equivalent O(18) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Mn(2)O5 trigonal bipyramids, and corners with two equivalent Mn(3)O5 trigonal bipyramids. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(8), two equivalent O(1), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(17), two equivalent O(10), and two equivalent O(12) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and edges with two equivalent Mn(2)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to one O(14), two equivalent O(11), and two equivalent O(16) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and edges with two equivalent Mn(3)O5 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded to one O(9), two equivalent O(13), and two equivalent O(15) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, and edges with two equivalent Mn(4)O5 trigonal bipyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(2), and two equivalent O(7) atoms. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(18), two equivalent O(4), and two equivalent O(6) atoms. There are six inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(15), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(17), one O(18), and one O(5) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(16), and one O(4) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(6) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(14), one O(8), and one O(9) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(10), one O(13), and one O(7) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), two equivalent Mn(1), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(4)LiFe2B tetrahedra,  a cornercorner with one O(15)LiMn2B tetrahedra,  a cornercorner with one O(16)LiMn2B tetrahedra, corners with two equivalent O(14)Li2MnB tetrahedra, corners with two equivalent O(8)Li2MnB tetrahedra, corners with two equivalent O(1)LiMn2B tetrahedra, corners with two equivalent O(3)LiMn2B tetrahedra, and  an edgeedge with one O(3)LiMn2B tetrahedra. In the second O site, O(2) is bonded to one Li(5), two equivalent Fe(1), and one B(1) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(15)LiMn2B tetrahedra,  a cornercorner with one O(3)LiMn2B tetrahedra, corners with two equivalent O(5)Li2FeB tetrahedra, corners with two equivalent O(17)Li2MnB tetrahedra, corners with two equivalent O(2)LiFe2B tetrahedra, corners with two equivalent O(7)LiFe2B tetrahedra, and  an edgeedge with one O(7)LiFe2B tetrahedra. In the third O site, O(3) is bonded to one Li(3), two equivalent Mn(1), and one B(1) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(2)LiFe2B tetrahedra,  a cornercorner with one O(7)LiFe2B tetrahedra,  a cornercorner with one O(15)LiMn2B tetrahedra, corners with two equivalent O(8)Li2MnB tetrahedra, corners with two equivalent O(9)Li2MnB tetrahedra, corners with two equivalent O(1)LiMn2B tetrahedra, corners with two equivalent O(3)LiMn2B tetrahedra, and  an edgeedge with one O(1)LiMn2B tetrahedra. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Fe(2), and one B(3) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(11)LiMn2B tetrahedra,  a cornercorner with one O(16)LiMn2B tetrahedra, corners with two equivalent O(18)Li2FeB tetrahedra, corners with two equivalent O(8)Li2MnB tetrahedra, corners with two equivalent O(4)LiFe2B tetrahedra, corners with two equivalent O(6)LiFe2B tetrahedra, and  an edgeedge with one O(6)LiFe2B tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Li(1), one Fe(1), and one B(2) atom to form distorted OLi2FeB tetrahedra that share  a cornercorner with one O(18)Li2FeB tetrahedra,  a cornercorner with one O(17)Li2MnB tetrahedra, corners with two equivalent O(5)Li2FeB tetrahedra, corners with two equivalent O(2)LiFe2B tetrahedra, corners with two equivalent O(6)LiFe2B tetrahedra, corners with two equivalent O(7)LiFe2B tetrahedra, and corners with two equivalent O(10)LiMn2B tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Fe(2), and one B(4) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(10)LiMn2B tetrahedra,  a cornercorner with one O(11)LiMn2B tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra, corners with two equivalent O(18)Li2FeB tetrahedra, corners with two equivalent O(5)Li2FeB tetrahedra, corners with two equivalent O(4)LiFe2B tetrahedra, corners with two equivalent O(6)LiFe2B tetrahedra, and  an edgeedge with one O(4)LiFe2B tetrahedra. In the seventh O site, O(7) is bonded to one Li(3), two equivalent Fe(1), and one B(6) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(10)LiMn2B tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(3)LiMn2B tetrahedra, corners with two equivalent O(5)Li2FeB tetrahedra, corners with two equivalent O(9)Li2MnB tetrahedra, corners with two equivalent O(2)LiFe2B tetrahedra, corners with two equivalent O(7)LiFe2B tetrahedra, and  an edgeedge with one O(2)LiFe2B tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Li(2), one Mn(1), and one B(5) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(14)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra, corners with two equivalent O(8)Li2MnB tetrahedra, corners with two equivalent O(4)LiFe2B tetrahedra, corners with two equivalent O(1)LiMn2B tetrahedra, corners with two equivalent O(11)LiMn2B tetrahedra, and corners with two equivalent O(3)LiMn2B tetrahedra. In the ninth O site, O(9) is bonded to two equivalent Li(3), one Mn(4), and one B(5) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(14)Li2MnB tetrahedra,  a cornercorner with one O(8)Li2MnB tetrahedra, corners with two equivalent O(9)Li2MnB tetrahedra, corners with two equivalent O(7)LiFe2B tetrahedra, corners with two equivalent O(13)LiMn2B tetrahedra, corners with two equivalent O(15)LiMn2B tetrahedra, and corners with two equivalent O(3)LiMn2B tetrahedra. In the tenth O site, O(10) is bonded to one Li(1), two equivalent Mn(2), and one B(6) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(6)LiFe2B tetrahedra,  a cornercorner with one O(7)LiFe2B tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra, corners with two equivalent O(5)Li2FeB tetrahedra, corners with two equivalent O(17)Li2MnB tetrahedra, corners with two equivalent O(10)LiMn2B tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, and  an edgeedge with one O(12)LiMn2B tetrahedra. In the eleventh O site, O(11) is bonded to one Li(2), two equivalent Mn(3), and one B(4) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(4)LiFe2B tetrahedra,  a cornercorner with one O(6)LiFe2B tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra, corners with two equivalent O(14)Li2MnB tetrahedra, corners with two equivalent O(8)Li2MnB tetrahedra, corners with two equivalent O(11)LiMn2B tetrahedra, corners with two equivalent O(16)LiMn2B tetrahedra, and  an edgeedge with one O(16)LiMn2B tetrahedra. In the twelfth O site, O(12) is bonded to one Li(6), two equivalent Mn(2), and one B(4) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(6)LiFe2B tetrahedra,  a cornercorner with one O(11)LiMn2B tetrahedra,  a cornercorner with one O(16)LiMn2B tetrahedra, corners with two equivalent O(18)Li2FeB tetrahedra, corners with two equivalent O(17)Li2MnB tetrahedra, corners with two equivalent O(10)LiMn2B tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, and  an edgeedge with one O(10)LiMn2B tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(5), two equivalent Mn(4), and one B(6) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(2)LiFe2B tetrahedra,  a cornercorner with one O(7)LiFe2B tetrahedra,  a cornercorner with one O(10)LiMn2B tetrahedra, corners with two equivalent O(17)Li2MnB tetrahedra, corners with two equivalent O(9)Li2MnB tetrahedra, corners with two equivalent O(13)LiMn2B tetrahedra, corners with two equivalent O(15)LiMn2B tetrahedra, and  an edgeedge with one O(15)LiMn2B tetrahedra. In the fourteenth O site, O(14) is bonded to two equivalent Li(4), one Mn(3), and one B(5) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(8)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra, corners with two equivalent O(14)Li2MnB tetrahedra, corners with two equivalent O(1)LiMn2B tetrahedra, corners with two equivalent O(11)LiMn2B tetrahedra, corners with two equivalent O(15)LiMn2B tetrahedra, and corners with two equivalent O(16)LiMn2B tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(4), two equivalent Mn(4), and one B(1) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(2)LiFe2B tetrahedra,  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(3)LiMn2B tetrahedra, corners with two equivalent O(14)Li2MnB tetrahedra, corners with two equivalent O(9)Li2MnB tetrahedra, corners with two equivalent O(13)LiMn2B tetrahedra, corners with two equivalent O(15)LiMn2B tetrahedra, and  an edgeedge with one O(13)LiMn2B tetrahedra. In the sixteenth O site, O(16) is bonded to one Li(6), two equivalent Mn(3), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(4)LiFe2B tetrahedra,  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra, corners with two equivalent O(18)Li2FeB tetrahedra, corners with two equivalent O(14)Li2MnB tetrahedra, corners with two equivalent O(11)LiMn2B tetrahedra, corners with two equivalent O(16)LiMn2B tetrahedra, and  an edgeedge with one O(11)LiMn2B tetrahedra. In the seventeenth O site, O(17) is bonded to two equivalent Li(5), one Mn(2), and one B(2) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(18)Li2FeB tetrahedra,  a cornercorner with one O(5)Li2FeB tetrahedra, corners with two equivalent O(17)Li2MnB tetrahedra, corners with two equivalent O(2)LiFe2B tetrahedra, corners with two equivalent O(10)LiMn2B tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, and corners with two equivalent O(13)LiMn2B tetrahedra. In the eighteenth O site, O(18) is bonded to two equivalent Li(6), one Fe(2), and one B(2) atom to form distorted OLi2FeB tetrahedra that share  a cornercorner with one O(5)Li2FeB tetrahedra,  a cornercorner with one O(17)Li2MnB tetrahedra, corners with two equivalent O(18)Li2FeB tetrahedra, corners with two equivalent O(4)LiFe2B tetrahedra, corners with two equivalent O(6)LiFe2B tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, and corners with two equivalent O(16)LiMn2B tetrahedra.
Li3Mn2Fe(BO3)3 crystallizes in the monoclinic Pm space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(6), and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with two equivalent Mn(2)O5 trigonal bipyramids. The Li(1)-O(10) bond length is 1.94 Å. The Li(1)-O(6) bond length is 1.93 Å. Both Li(1)-O(5) bond lengths are 1.97 Å. In the second Li site, Li(2) is bonded to one O(11), one O(4), and two equivalent O(8) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(3)O5 trigonal bipyramids. The Li(2)-O(11) bond length is 1.91 Å. The Li(2)-O(4) bond length is 1.95 Å. Both Li(2)-O(8) bond lengths are 1.96 Å. In the third Li site, Li(3) is bonded to one O(3), one O(7), and two equivalent O(9) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(4)O5 trigonal bipyramids. The Li(3)-O(3) bond length is 1.90 Å. The Li(3)-O(7) bond length is 1.96 Å. Both Li(3)-O(9) bond lengths are 1.96 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(15), and two equivalent O(14) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Mn(3)O5 trigonal bipyramids, and corners with two equivalent Mn(4)O5 trigonal bipyramids. The Li(4)-O(1) bond length is 1.97 Å. The Li(4)-O(15) bond length is 1.94 Å. Both Li(4)-O(14) bond lengths are 1.96 Å. In the fifth Li site, Li(5) is bonded to one O(13), one O(2), and two equivalent O(17) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Mn(2)O5 trigonal bipyramids, and corners with two equivalent Mn(4)O5 trigonal bipyramids. The Li(5)-O(13) bond length is 1.97 Å. The Li(5)-O(2) bond length is 1.93 Å. Both Li(5)-O(17) bond lengths are 1.98 Å. In the sixth Li site, Li(6) is bonded to one O(12), one O(16), and two equivalent O(18) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Mn(2)O5 trigonal bipyramids, and corners with two equivalent Mn(3)O5 trigonal bipyramids. The Li(6)-O(12) bond length is 1.93 Å. The Li(6)-O(16) bond length is 1.94 Å. Both Li(6)-O(18) bond lengths are 1.99 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(8), two equivalent O(1), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. The Mn(1)-O(8) bond length is 2.06 Å. Both Mn(1)-O(1) bond lengths are 2.15 Å. Both Mn(1)-O(3) bond lengths are 2.14 Å. In the second Mn site, Mn(2) is bonded to one O(17), two equivalent O(10), and two equivalent O(12) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and edges with two equivalent Mn(2)O5 trigonal bipyramids. The Mn(2)-O(17) bond length is 2.07 Å. Both Mn(2)-O(10) bond lengths are 2.14 Å. Both Mn(2)-O(12) bond lengths are 2.15 Å. In the third Mn site, Mn(3) is bonded to one O(14), two equivalent O(11), and two equivalent O(16) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and edges with two equivalent Mn(3)O5 trigonal bipyramids. The Mn(3)-O(14) bond length is 2.07 Å. Both Mn(3)-O(11) bond lengths are 2.15 Å. Both Mn(3)-O(16) bond lengths are 2.15 Å. In the fourth Mn site, Mn(4) is bonded to one O(9), two equivalent O(13), and two equivalent O(15) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, and edges with two equivalent Mn(4)O5 trigonal bipyramids. The Mn(4)-O(9) bond length is 2.06 Å. Both Mn(4)-O(13) bond lengths are 2.14 Å. Both Mn(4)-O(15) bond lengths are 2.15 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(2), and two equivalent O(7) atoms. The Fe(1)-O(5) bond length is 1.99 Å. Both Fe(1)-O(2) bond lengths are 2.14 Å. Both Fe(1)-O(7) bond lengths are 2.10 Å. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(18), two equivalent O(4), and two equivalent O(6) atoms. The Fe(2)-O(18) bond length is 1.99 Å. Both Fe(2)-O(4) bond lengths are 2.10 Å. Both Fe(2)-O(6) bond lengths are 2.15 Å. There are six inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(15), one O(2), and one O(3) atom. The B(1)-O(15) bond length is 1.39 Å. The B(1)-O(2) bond length is 1.38 Å. The B(1)-O(3) bond length is 1.38 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(17), one O(18), and one O(5) atom. The B(2)-O(17) bond length is 1.38 Å. The B(2)-O(18) bond length is 1.39 Å. The B(2)-O(5) bond length is 1.39 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(16), and one O(4) atom. The B(3)-O(1) bond length is 1.38 Å. The B(3)-O(16) bond length is 1.38 Å. The B(3)-O(4) bond length is 1.38 Å. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(6) atom. The B(4)-O(11) bond length is 1.38 Å. The B(4)-O(12) bond length is 1.39 Å. The B(4)-O(6) bond length is 1.38 Å. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(14), one O(8), and one O(9) atom. The B(5)-O(14) bond length is 1.39 Å. The B(5)-O(8) bond length is 1.38 Å. The B(5)-O(9) bond length is 1.38 Å. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(10), one O(13), and one O(7) atom. The B(6)-O(10) bond length is 1.38 Å. The B(6)-O(13) bond length is 1.38 Å. The B(6)-O(7) bond length is 1.38 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), two equivalent Mn(1), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(4)LiFe2B tetrahedra,  a cornercorner with one O(15)LiMn2B tetrahedra,  a cornercorner with one O(16)LiMn2B tetrahedra, corners with two equivalent O(14)Li2MnB tetrahedra, corners with two equivalent O(8)Li2MnB tetrahedra, corners with two equivalent O(1)LiMn2B tetrahedra, corners with two equivalent O(3)LiMn2B tetrahedra, and  an edgeedge with one O(3)LiMn2B tetrahedra. In the second O site, O(2) is bonded to one Li(5), two equivalent Fe(1), and one B(1) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(15)LiMn2B tetrahedra,  a cornercorner with one O(3)LiMn2B tetrahedra, corners with two equivalent O(5)Li2FeB tetrahedra, corners with two equivalent O(17)Li2MnB tetrahedra, corners with two equivalent O(2)LiFe2B tetrahedra, corners with two equivalent O(7)LiFe2B tetrahedra, and  an edgeedge with one O(7)LiFe2B tetrahedra. In the third O site, O(3) is bonded to one Li(3), two equivalent Mn(1), and one B(1) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(2)LiFe2B tetrahedra,  a cornercorner with one O(7)LiFe2B tetrahedra,  a cornercorner with one O(15)LiMn2B tetrahedra, corners with two equivalent O(8)Li2MnB tetrahedra, corners with two equivalent O(9)Li2MnB tetrahedra, corners with two equivalent O(1)LiMn2B tetrahedra, corners with two equivalent O(3)LiMn2B tetrahedra, and  an edgeedge with one O(1)LiMn2B tetrahedra. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Fe(2), and one B(3) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(11)LiMn2B tetrahedra,  a cornercorner with one O(16)LiMn2B tetrahedra, corners with two equivalent O(18)Li2FeB tetrahedra, corners with two equivalent O(8)Li2MnB tetrahedra, corners with two equivalent O(4)LiFe2B tetrahedra, corners with two equivalent O(6)LiFe2B tetrahedra, and  an edgeedge with one O(6)LiFe2B tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Li(1), one Fe(1), and one B(2) atom to form distorted OLi2FeB tetrahedra that share  a cornercorner with one O(18)Li2FeB tetrahedra,  a cornercorner with one O(17)Li2MnB tetrahedra, corners with two equivalent O(5)Li2FeB tetrahedra, corners with two equivalent O(2)LiFe2B tetrahedra, corners with two equivalent O(6)LiFe2B tetrahedra, corners with two equivalent O(7)LiFe2B tetrahedra, and corners with two equivalent O(10)LiMn2B tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Fe(2), and one B(4) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(10)LiMn2B tetrahedra,  a cornercorner with one O(11)LiMn2B tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra, corners with two equivalent O(18)Li2FeB tetrahedra, corners with two equivalent O(5)Li2FeB tetrahedra, corners with two equivalent O(4)LiFe2B tetrahedra, corners with two equivalent O(6)LiFe2B tetrahedra, and  an edgeedge with one O(4)LiFe2B tetrahedra. In the seventh O site, O(7) is bonded to one Li(3), two equivalent Fe(1), and one B(6) atom to form distorted OLiFe2B tetrahedra that share  a cornercorner with one O(10)LiMn2B tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(3)LiMn2B tetrahedra, corners with two equivalent O(5)Li2FeB tetrahedra, corners with two equivalent O(9)Li2MnB tetrahedra, corners with two equivalent O(2)LiFe2B tetrahedra, corners with two equivalent O(7)LiFe2B tetrahedra, and  an edgeedge with one O(2)LiFe2B tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Li(2), one Mn(1), and one B(5) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(14)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra, corners with two equivalent O(8)Li2MnB tetrahedra, corners with two equivalent O(4)LiFe2B tetrahedra, corners with two equivalent O(1)LiMn2B tetrahedra, corners with two equivalent O(11)LiMn2B tetrahedra, and corners with two equivalent O(3)LiMn2B tetrahedra. In the ninth O site, O(9) is bonded to two equivalent Li(3), one Mn(4), and one B(5) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(14)Li2MnB tetrahedra,  a cornercorner with one O(8)Li2MnB tetrahedra, corners with two equivalent O(9)Li2MnB tetrahedra, corners with two equivalent O(7)LiFe2B tetrahedra, corners with two equivalent O(13)LiMn2B tetrahedra, corners with two equivalent O(15)LiMn2B tetrahedra, and corners with two equivalent O(3)LiMn2B tetrahedra. In the tenth O site, O(10) is bonded to one Li(1), two equivalent Mn(2), and one B(6) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(6)LiFe2B tetrahedra,  a cornercorner with one O(7)LiFe2B tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra, corners with two equivalent O(5)Li2FeB tetrahedra, corners with two equivalent O(17)Li2MnB tetrahedra, corners with two equivalent O(10)LiMn2B tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, and  an edgeedge with one O(12)LiMn2B tetrahedra. In the eleventh O site, O(11) is bonded to one Li(2), two equivalent Mn(3), and one B(4) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(4)LiFe2B tetrahedra,  a cornercorner with one O(6)LiFe2B tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra, corners with two equivalent O(14)Li2MnB tetrahedra, corners with two equivalent O(8)Li2MnB tetrahedra, corners with two equivalent O(11)LiMn2B tetrahedra, corners with two equivalent O(16)LiMn2B tetrahedra, and  an edgeedge with one O(16)LiMn2B tetrahedra. In the twelfth O site, O(12) is bonded to one Li(6), two equivalent Mn(2), and one B(4) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(6)LiFe2B tetrahedra,  a cornercorner with one O(11)LiMn2B tetrahedra,  a cornercorner with one O(16)LiMn2B tetrahedra, corners with two equivalent O(18)Li2FeB tetrahedra, corners with two equivalent O(17)Li2MnB tetrahedra, corners with two equivalent O(10)LiMn2B tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, and  an edgeedge with one O(10)LiMn2B tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(5), two equivalent Mn(4), and one B(6) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(2)LiFe2B tetrahedra,  a cornercorner with one O(7)LiFe2B tetrahedra,  a cornercorner with one O(10)LiMn2B tetrahedra, corners with two equivalent O(17)Li2MnB tetrahedra, corners with two equivalent O(9)Li2MnB tetrahedra, corners with two equivalent O(13)LiMn2B tetrahedra, corners with two equivalent O(15)LiMn2B tetrahedra, and  an edgeedge with one O(15)LiMn2B tetrahedra. In the fourteenth O site, O(14) is bonded to two equivalent Li(4), one Mn(3), and one B(5) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(8)Li2MnB tetrahedra,  a cornercorner with one O(9)Li2MnB tetrahedra, corners with two equivalent O(14)Li2MnB tetrahedra, corners with two equivalent O(1)LiMn2B tetrahedra, corners with two equivalent O(11)LiMn2B tetrahedra, corners with two equivalent O(15)LiMn2B tetrahedra, and corners with two equivalent O(16)LiMn2B tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(4), two equivalent Mn(4), and one B(1) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(2)LiFe2B tetrahedra,  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(3)LiMn2B tetrahedra, corners with two equivalent O(14)Li2MnB tetrahedra, corners with two equivalent O(9)Li2MnB tetrahedra, corners with two equivalent O(13)LiMn2B tetrahedra, corners with two equivalent O(15)LiMn2B tetrahedra, and  an edgeedge with one O(13)LiMn2B tetrahedra. In the sixteenth O site, O(16) is bonded to one Li(6), two equivalent Mn(3), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(4)LiFe2B tetrahedra,  a cornercorner with one O(1)LiMn2B tetrahedra,  a cornercorner with one O(12)LiMn2B tetrahedra, corners with two equivalent O(18)Li2FeB tetrahedra, corners with two equivalent O(14)Li2MnB tetrahedra, corners with two equivalent O(11)LiMn2B tetrahedra, corners with two equivalent O(16)LiMn2B tetrahedra, and  an edgeedge with one O(11)LiMn2B tetrahedra. In the seventeenth O site, O(17) is bonded to two equivalent Li(5), one Mn(2), and one B(2) atom to form distorted OLi2MnB tetrahedra that share  a cornercorner with one O(18)Li2FeB tetrahedra,  a cornercorner with one O(5)Li2FeB tetrahedra, corners with two equivalent O(17)Li2MnB tetrahedra, corners with two equivalent O(2)LiFe2B tetrahedra, corners with two equivalent O(10)LiMn2B tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, and corners with two equivalent O(13)LiMn2B tetrahedra. In the eighteenth O site, O(18) is bonded to two equivalent Li(6), one Fe(2), and one B(2) atom to form distorted OLi2FeB tetrahedra that share  a cornercorner with one O(5)Li2FeB tetrahedra,  a cornercorner with one O(17)Li2MnB tetrahedra, corners with two equivalent O(18)Li2FeB tetrahedra, corners with two equivalent O(4)LiFe2B tetrahedra, corners with two equivalent O(6)LiFe2B tetrahedra, corners with two equivalent O(12)LiMn2B tetrahedra, and corners with two equivalent O(16)LiMn2B tetrahedra.