CaMn6O5F7 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one F(1), one F(2), one F(5), and one F(6) atom. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one F(1), one F(6), and one F(7) atom to form distorted MnO2F3 trigonal bipyramids that share  a cornercorner with one Mn(5)O2F4 octahedra,  a cornercorner with one Mn(2)O3F2 square pyramid, corners with two equivalent Mn(6)O3F2 trigonal bipyramids, and  an edgeedge with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles are 85°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one F(4), and one F(5) atom to form MnO3F2 square pyramids that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 octahedra,  a cornercorner with one Mn(1)O2F3 trigonal bipyramid, and  an edgeedge with one Mn(6)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 48-61°. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one F(3), and one F(4) atom. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(5), one F(2), one F(4), one F(6), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(2)O3F2 square pyramids, corners with two equivalent Mn(6)O3F2 trigonal bipyramids,  an edgeedge with one Mn(5)O2F4 octahedra, and  an edgeedge with one Mn(1)O2F3 trigonal bipyramid. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(5), one F(1), one F(2), one F(3), and one F(5) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(2)O3F2 square pyramids,  a cornercorner with one Mn(1)O2F3 trigonal bipyramid, corners with two equivalent Mn(6)O3F2 trigonal bipyramids, and  an edgeedge with one Mn(4)O2F4 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(3), one O(4), one F(3), and one F(7) atom to form MnO3F2 trigonal bipyramids that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 octahedra, corners with two equivalent Mn(1)O2F3 trigonal bipyramids, and  an edgeedge with one Mn(2)O3F2 square pyramid. The corner-sharing octahedral tilt angles range from 34-56°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Mn(1), one Mn(2), and one Mn(3) atom to form corner-sharing OCaMn3 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the third O site, O(3) is bonded to one Ca(1), one Mn(2), one Mn(5), and one Mn(6) atom to form corner-sharing OCaMn3 trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), one Mn(3), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Ca(1), one Mn(4), and one Mn(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one Mn(2), and one Mn(5) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Ca(1), one Mn(1), and one Mn(4) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom.
CaMn6O5F7 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one F(1), one F(2), one F(5), and one F(6) atom. The Ca(1)-O(1) bond length is 2.29 Å. The Ca(1)-O(3) bond length is 2.35 Å. The Ca(1)-O(4) bond length is 2.82 Å. The Ca(1)-F(1) bond length is 2.22 Å. The Ca(1)-F(2) bond length is 2.55 Å. The Ca(1)-F(5) bond length is 2.30 Å. The Ca(1)-F(6) bond length is 2.33 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one F(1), one F(6), and one F(7) atom to form distorted MnO2F3 trigonal bipyramids that share  a cornercorner with one Mn(5)O2F4 octahedra,  a cornercorner with one Mn(2)O3F2 square pyramid, corners with two equivalent Mn(6)O3F2 trigonal bipyramids, and  an edgeedge with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles are 85°. The Mn(1)-O(1) bond length is 2.21 Å. The Mn(1)-O(4) bond length is 2.07 Å. The Mn(1)-F(1) bond length is 2.06 Å. The Mn(1)-F(6) bond length is 2.14 Å. The Mn(1)-F(7) bond length is 2.12 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one F(4), and one F(5) atom to form MnO3F2 square pyramids that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 octahedra,  a cornercorner with one Mn(1)O2F3 trigonal bipyramid, and  an edgeedge with one Mn(6)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 48-61°. The Mn(2)-O(1) bond length is 1.92 Å. The Mn(2)-O(2) bond length is 1.93 Å. The Mn(2)-O(3) bond length is 1.98 Å. The Mn(2)-F(4) bond length is 2.01 Å. The Mn(2)-F(5) bond length is 2.23 Å. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one F(3), and one F(4) atom. The Mn(3)-O(1) bond length is 2.18 Å. The Mn(3)-O(4) bond length is 2.15 Å. The Mn(3)-O(5) bond length is 2.01 Å. The Mn(3)-F(3) bond length is 2.23 Å. The Mn(3)-F(4) bond length is 2.35 Å. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(5), one F(2), one F(4), one F(6), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(2)O3F2 square pyramids, corners with two equivalent Mn(6)O3F2 trigonal bipyramids,  an edgeedge with one Mn(5)O2F4 octahedra, and  an edgeedge with one Mn(1)O2F3 trigonal bipyramid. The Mn(4)-O(2) bond length is 1.93 Å. The Mn(4)-O(5) bond length is 1.83 Å. The Mn(4)-F(2) bond length is 1.99 Å. The Mn(4)-F(4) bond length is 2.09 Å. The Mn(4)-F(6) bond length is 2.03 Å. The Mn(4)-F(7) bond length is 2.06 Å. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(5), one F(1), one F(2), one F(3), and one F(5) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(2)O3F2 square pyramids,  a cornercorner with one Mn(1)O2F3 trigonal bipyramid, corners with two equivalent Mn(6)O3F2 trigonal bipyramids, and  an edgeedge with one Mn(4)O2F4 octahedra. The Mn(5)-O(3) bond length is 2.08 Å. The Mn(5)-O(5) bond length is 2.00 Å. The Mn(5)-F(1) bond length is 2.47 Å. The Mn(5)-F(2) bond length is 2.21 Å. The Mn(5)-F(3) bond length is 2.12 Å. The Mn(5)-F(5) bond length is 2.10 Å. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(3), one O(4), one F(3), and one F(7) atom to form MnO3F2 trigonal bipyramids that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 octahedra, corners with two equivalent Mn(1)O2F3 trigonal bipyramids, and  an edgeedge with one Mn(2)O3F2 square pyramid. The corner-sharing octahedral tilt angles range from 34-56°. The Mn(6)-O(2) bond length is 2.02 Å. The Mn(6)-O(3) bond length is 1.92 Å. The Mn(6)-O(4) bond length is 1.92 Å. The Mn(6)-F(3) bond length is 1.98 Å. The Mn(6)-F(7) bond length is 2.24 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Mn(1), one Mn(2), and one Mn(3) atom to form corner-sharing OCaMn3 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the third O site, O(3) is bonded to one Ca(1), one Mn(2), one Mn(5), and one Mn(6) atom to form corner-sharing OCaMn3 trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), one Mn(3), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Ca(1), one Mn(4), and one Mn(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one Mn(2), and one Mn(5) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Ca(1), one Mn(1), and one Mn(4) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom.