Li2Mn3O4F3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(5), one F(1), and one F(2) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Mn(3)O3F3 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Mn(5)O4F2 octahedra, corners with two equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(6)O4F2 octahedra,  a cornercorner with one Li(3)O2F3 square pyramid, and  a cornercorner with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-73°. In the second Li site, Li(2) is bonded to one O(2), one O(5), one O(6), one O(7), and one F(4) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Mn(1)O3F3 octahedra,  a cornercorner with one Mn(3)O3F3 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Mn(5)O4F2 octahedra,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, and  an edgeedge with one Mn(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 13-82°. In the third Li site, Li(3) is bonded to one O(3), one O(4), one F(2), one F(3), and one F(5) atom to form distorted LiO2F3 square pyramids that share  a cornercorner with one Mn(3)O3F3 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Mn(5)O4F2 octahedra,  a cornercorner with one Mn(6)O4F2 octahedra,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, and  an edgeedge with one Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-80°. In the fourth Li site, Li(4) is bonded to one O(8), one F(3), one F(4), and one F(6) atom to form LiOF3 tetrahedra that share  a cornercorner with one Mn(3)O3F3 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra, corners with two equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with two equivalent Mn(6)O4F2 octahedra,  a cornercorner with one Li(3)O2F3 square pyramid, and  a cornercorner with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-70°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one F(1), one F(3), and one F(6) atom to form MnO3F3 octahedra that share corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and  an edgeedge with one Li(3)O2F3 square pyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(6), one O(7), one F(1), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one Li(3)O2F3 square pyramid,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and  an edgeedge with one Li(2)O4F trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(2), one O(6), one O(7), one F(2), one F(3), and one F(5) atom to form MnO3F3 octahedra that share  a cornercorner with one Li(3)O2F3 square pyramid,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra,  an edgeedge with one Li(3)O2F3 square pyramid, and  an edgeedge with one Li(2)O4F trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(4), one O(5), one F(4), and one F(5) atom to form distorted MnO4F2 octahedra that share  a cornercorner with one Li(3)O2F3 square pyramid,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra,  an edgeedge with one Li(3)O2F3 square pyramid, and  an edgeedge with one Li(2)O4F trigonal bipyramid. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one O(7), one O(8), one F(2), and one F(6) atom to form MnO4F2 octahedra that share  a cornercorner with one Li(3)O2F3 square pyramid,  a cornercorner with one Li(1)O2F2 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and  an edgeedge with one Li(3)O2F3 square pyramid. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(5), one O(6), one O(8), one F(5), and one F(6) atom to form MnO4F2 octahedra that share  a cornercorner with one Li(3)O2F3 square pyramid, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Li(2)O4F trigonal bipyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(1), one Mn(2), and one Mn(6) atom to form OLiMn3 tetrahedra that share  a cornercorner with one O(3)LiMn3 trigonal pyramid,  a cornercorner with one O(4)LiMn3 trigonal pyramid, and corners with two equivalent O(5)Li2Mn2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded to one Li(3), one Mn(2), one Mn(4), and one Mn(5) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one O(5)Li2Mn2 trigonal pyramid,  a cornercorner with one O(4)LiMn3 trigonal pyramid, and  an edgeedge with one O(4)LiMn3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), one Mn(4), and one Mn(5) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one O(5)Li2Mn2 trigonal pyramid,  a cornercorner with one O(3)LiMn3 trigonal pyramid, and  an edgeedge with one O(3)LiMn3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Mn(4), and one Mn(6) atom to form corner-sharing OLi2Mn2 trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), one Mn(3), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(3), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(4), one Mn(5), and one Mn(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Mn(3), and one Mn(5) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one Mn(1), and one Mn(3) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Mn(2), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(3), one Mn(4), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Mn(1), one Mn(5), and one Mn(6) atom.
Li2Mn3O4F3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(5), one F(1), and one F(2) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Mn(3)O3F3 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Mn(5)O4F2 octahedra, corners with two equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(6)O4F2 octahedra,  a cornercorner with one Li(3)O2F3 square pyramid, and  a cornercorner with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-73°. The Li(1)-O(1) bond length is 2.18 Å. The Li(1)-O(5) bond length is 2.07 Å. The Li(1)-F(1) bond length is 2.03 Å. The Li(1)-F(2) bond length is 1.98 Å. In the second Li site, Li(2) is bonded to one O(2), one O(5), one O(6), one O(7), and one F(4) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Mn(1)O3F3 octahedra,  a cornercorner with one Mn(3)O3F3 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Mn(5)O4F2 octahedra,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, and  an edgeedge with one Mn(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 13-82°. The Li(2)-O(2) bond length is 2.14 Å. The Li(2)-O(5) bond length is 2.02 Å. The Li(2)-O(6) bond length is 2.22 Å. The Li(2)-O(7) bond length is 2.03 Å. The Li(2)-F(4) bond length is 2.29 Å. In the third Li site, Li(3) is bonded to one O(3), one O(4), one F(2), one F(3), and one F(5) atom to form distorted LiO2F3 square pyramids that share  a cornercorner with one Mn(3)O3F3 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Mn(5)O4F2 octahedra,  a cornercorner with one Mn(6)O4F2 octahedra,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, and  an edgeedge with one Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 3-80°. The Li(3)-O(3) bond length is 2.08 Å. The Li(3)-O(4) bond length is 2.19 Å. The Li(3)-F(2) bond length is 2.00 Å. The Li(3)-F(3) bond length is 2.20 Å. The Li(3)-F(5) bond length is 2.02 Å. In the fourth Li site, Li(4) is bonded to one O(8), one F(3), one F(4), and one F(6) atom to form LiOF3 tetrahedra that share  a cornercorner with one Mn(3)O3F3 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra, corners with two equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with two equivalent Mn(6)O4F2 octahedra,  a cornercorner with one Li(3)O2F3 square pyramid, and  a cornercorner with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-70°. The Li(4)-O(8) bond length is 1.99 Å. The Li(4)-F(3) bond length is 1.99 Å. The Li(4)-F(4) bond length is 2.01 Å. The Li(4)-F(6) bond length is 1.96 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one F(1), one F(3), and one F(6) atom to form MnO3F3 octahedra that share corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and  an edgeedge with one Li(3)O2F3 square pyramid. The Mn(1)-O(1) bond length is 1.97 Å. The Mn(1)-O(2) bond length is 1.94 Å. The Mn(1)-O(4) bond length is 1.94 Å. The Mn(1)-F(1) bond length is 1.98 Å. The Mn(1)-F(3) bond length is 2.24 Å. The Mn(1)-F(6) bond length is 2.18 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(6), one O(7), one F(1), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one Li(3)O2F3 square pyramid,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(1)O2F2 tetrahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and  an edgeedge with one Li(2)O4F trigonal bipyramid. The Mn(2)-O(1) bond length is 1.95 Å. The Mn(2)-O(3) bond length is 1.92 Å. The Mn(2)-O(6) bond length is 2.05 Å. The Mn(2)-O(7) bond length is 2.15 Å. The Mn(2)-F(1) bond length is 2.18 Å. The Mn(2)-F(4) bond length is 2.08 Å. In the third Mn site, Mn(3) is bonded to one O(2), one O(6), one O(7), one F(2), one F(3), and one F(5) atom to form MnO3F3 octahedra that share  a cornercorner with one Li(3)O2F3 square pyramid,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra,  an edgeedge with one Li(3)O2F3 square pyramid, and  an edgeedge with one Li(2)O4F trigonal bipyramid. The Mn(3)-O(2) bond length is 1.94 Å. The Mn(3)-O(6) bond length is 1.92 Å. The Mn(3)-O(7) bond length is 1.90 Å. The Mn(3)-F(2) bond length is 2.28 Å. The Mn(3)-F(3) bond length is 1.98 Å. The Mn(3)-F(5) bond length is 2.27 Å. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(4), one O(5), one F(4), and one F(5) atom to form distorted MnO4F2 octahedra that share  a cornercorner with one Li(3)O2F3 square pyramid,  a cornercorner with one Li(1)O2F2 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra,  an edgeedge with one Li(3)O2F3 square pyramid, and  an edgeedge with one Li(2)O4F trigonal bipyramid. The Mn(4)-O(2) bond length is 2.06 Å. The Mn(4)-O(3) bond length is 2.06 Å. The Mn(4)-O(4) bond length is 1.95 Å. The Mn(4)-O(5) bond length is 1.88 Å. The Mn(4)-F(4) bond length is 2.26 Å. The Mn(4)-F(5) bond length is 2.16 Å. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one O(7), one O(8), one F(2), and one F(6) atom to form MnO4F2 octahedra that share  a cornercorner with one Li(3)O2F3 square pyramid,  a cornercorner with one Li(1)O2F2 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and  an edgeedge with one Li(3)O2F3 square pyramid. The Mn(5)-O(3) bond length is 1.98 Å. The Mn(5)-O(4) bond length is 2.05 Å. The Mn(5)-O(7) bond length is 2.02 Å. The Mn(5)-O(8) bond length is 1.86 Å. The Mn(5)-F(2) bond length is 2.13 Å. The Mn(5)-F(6) bond length is 2.29 Å. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(5), one O(6), one O(8), one F(5), and one F(6) atom to form MnO4F2 octahedra that share  a cornercorner with one Li(3)O2F3 square pyramid, corners with two equivalent Li(1)O2F2 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Li(2)O4F trigonal bipyramid. The Mn(6)-O(1) bond length is 2.05 Å. The Mn(6)-O(5) bond length is 1.95 Å. The Mn(6)-O(6) bond length is 2.01 Å. The Mn(6)-O(8) bond length is 1.89 Å. The Mn(6)-F(5) bond length is 2.34 Å. The Mn(6)-F(6) bond length is 2.28 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(1), one Mn(2), and one Mn(6) atom to form OLiMn3 tetrahedra that share  a cornercorner with one O(3)LiMn3 trigonal pyramid,  a cornercorner with one O(4)LiMn3 trigonal pyramid, and corners with two equivalent O(5)Li2Mn2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded to one Li(3), one Mn(2), one Mn(4), and one Mn(5) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one O(5)Li2Mn2 trigonal pyramid,  a cornercorner with one O(4)LiMn3 trigonal pyramid, and  an edgeedge with one O(4)LiMn3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), one Mn(4), and one Mn(5) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(1)LiMn3 tetrahedra,  a cornercorner with one O(5)Li2Mn2 trigonal pyramid,  a cornercorner with one O(3)LiMn3 trigonal pyramid, and  an edgeedge with one O(3)LiMn3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Mn(4), and one Mn(6) atom to form corner-sharing OLi2Mn2 trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), one Mn(3), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(3), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(4), one Mn(5), and one Mn(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Mn(3), and one Mn(5) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one Mn(1), and one Mn(3) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Mn(2), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(3), one Mn(4), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Mn(1), one Mn(5), and one Mn(6) atom.