LiMn4(BO3)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(11), one O(3), one O(4), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(6), one O(8), and two equivalent O(1) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(10), one O(3), one O(4), one O(7), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(9), and two equivalent O(5) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(12), one O(2), one O(4), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(7), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one B(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(4) and one B(4) atom. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Mn(2), and one B(4) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Mn(2), one Mn(4), and one B(1) atom to form distorted corner-sharing OLiMn2B trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mn(3) and one B(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one B(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), and one B(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one B(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one B(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one B(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one B(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one B(3) atom.
LiMn4(BO3)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(11), one O(3), one O(4), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. The Li(1)-O(11) bond length is 1.91 Å. The Li(1)-O(3) bond length is 2.09 Å. The Li(1)-O(4) bond length is 2.05 Å. The Li(1)-O(7) bond length is 1.92 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(6), one O(8), and two equivalent O(1) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. The Mn(1)-O(3) bond length is 2.14 Å. The Mn(1)-O(6) bond length is 1.90 Å. The Mn(1)-O(8) bond length is 1.95 Å. There is one shorter (1.99 Å) and one longer (2.03 Å) Mn(1)-O(1) bond length. In the second Mn site, Mn(2) is bonded to one O(10), one O(3), one O(4), one O(7), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The Mn(2)-O(10) bond length is 2.17 Å. The Mn(2)-O(3) bond length is 2.14 Å. The Mn(2)-O(4) bond length is 2.22 Å. The Mn(2)-O(7) bond length is 2.04 Å. The Mn(2)-O(8) bond length is 2.16 Å. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(9), and two equivalent O(5) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The Mn(3)-O(11) bond length is 1.95 Å. The Mn(3)-O(12) bond length is 1.97 Å. The Mn(3)-O(9) bond length is 2.03 Å. There is one shorter (1.95 Å) and one longer (2.18 Å) Mn(3)-O(5) bond length. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(12), one O(2), one O(4), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. The Mn(4)-O(10) bond length is 1.99 Å. The Mn(4)-O(12) bond length is 2.17 Å. The Mn(4)-O(2) bond length is 1.91 Å. The Mn(4)-O(4) bond length is 2.07 Å. The Mn(4)-O(9) bond length is 1.98 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(8) atom. The B(1)-O(4) bond length is 1.39 Å. The B(1)-O(6) bond length is 1.36 Å. The B(1)-O(8) bond length is 1.41 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(7), and one O(9) atom. The B(2)-O(1) bond length is 1.41 Å. The B(2)-O(7) bond length is 1.34 Å. The B(2)-O(9) bond length is 1.42 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. The B(3)-O(10) bond length is 1.40 Å. The B(3)-O(11) bond length is 1.37 Å. The B(3)-O(12) bond length is 1.41 Å. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. The B(4)-O(2) bond length is 1.36 Å. The B(4)-O(3) bond length is 1.40 Å. The B(4)-O(5) bond length is 1.40 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one B(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(4) and one B(4) atom. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Mn(2), and one B(4) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Mn(2), one Mn(4), and one B(1) atom to form distorted corner-sharing OLiMn2B trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mn(3) and one B(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one B(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), and one B(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one B(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one B(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one B(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one B(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one B(3) atom.