CaMn6O5F7 crystallizes in the monoclinic C2 space group. Ca(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(4) atoms to form distorted CaO4F2 octahedra that share corners with two equivalent Mn(3)O3F3 octahedra, corners with four equivalent Mn(4)O2F4 octahedra, edges with two equivalent Mn(1)O4F2 octahedra, and edges with four equivalent Mn(2)O2F5 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 31-66°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(3)O3F3 octahedra, corners with four equivalent Mn(4)O2F4 octahedra, edges with two equivalent Ca(1)O4F2 octahedra, and edges with four equivalent Mn(2)O2F5 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 37-54°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form distorted MnO2F5 pentagonal bipyramids that share corners with three equivalent Mn(4)O2F4 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra, edges with two equivalent Ca(1)O4F2 octahedra, edges with two equivalent Mn(1)O4F2 octahedra, edges with two equivalent Mn(2)O2F5 pentagonal bipyramids, and  a faceface with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-67°. In the third Mn site, Mn(3) is bonded to one O(3), two equivalent O(1), one F(2), and two equivalent F(3) atoms to form MnO3F3 octahedra that share corners with two equivalent Ca(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with six equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(2)O2F5 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 44-60°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one F(1), one F(2), one F(3), and one F(4) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Ca(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(3)O3F3 octahedra, corners with three equivalent Mn(2)O2F5 pentagonal bipyramids,  an edgeedge with one Mn(4)O2F4 octahedra, and  a faceface with one Mn(2)O2F5 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 31-66°. There are three 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 distorted OCaMn3 tetrahedra that share  a cornercorner with one O(1)CaMn3 tetrahedra, corners with five equivalent O(2)CaMn3 tetrahedra, corners with two equivalent F(4)CaMn3 trigonal pyramids,  an edgeedge with one O(1)CaMn3 tetrahedra, and  an edgeedge with one F(4)CaMn3 trigonal pyramid. In the second O site, O(2) is bonded to one Ca(1), one Mn(1), one Mn(2), and one Mn(4) atom to form distorted OCaMn3 tetrahedra that share corners with five equivalent O(1)CaMn3 tetrahedra,  a cornercorner with one F(4)CaMn3 trigonal pyramid,  an edgeedge with one O(2)CaMn3 tetrahedra, and edges with two equivalent F(4)CaMn3 trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to one Mn(1), one Mn(4), and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(3) and two equivalent Mn(4) atoms. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded to one Ca(1), one Mn(4), and two equivalent Mn(2) atoms to form distorted FCaMn3 trigonal pyramids that share  a cornercorner with one O(2)CaMn3 tetrahedra, corners with two equivalent O(1)CaMn3 tetrahedra, corners with three equivalent F(4)CaMn3 trigonal pyramids,  an edgeedge with one O(1)CaMn3 tetrahedra, and edges with two equivalent O(2)CaMn3 tetrahedra.
CaMn6O5F7 crystallizes in the monoclinic C2 space group. Ca(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(4) atoms to form distorted CaO4F2 octahedra that share corners with two equivalent Mn(3)O3F3 octahedra, corners with four equivalent Mn(4)O2F4 octahedra, edges with two equivalent Mn(1)O4F2 octahedra, and edges with four equivalent Mn(2)O2F5 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 31-66°. Both Ca(1)-O(1) bond lengths are 2.38 Å. Both Ca(1)-O(2) bond lengths are 2.37 Å. Both Ca(1)-F(4) bond lengths are 2.23 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(3)O3F3 octahedra, corners with four equivalent Mn(4)O2F4 octahedra, edges with two equivalent Ca(1)O4F2 octahedra, and edges with four equivalent Mn(2)O2F5 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 37-54°. Both Mn(1)-O(1) bond lengths are 2.01 Å. Both Mn(1)-O(2) bond lengths are 1.95 Å. Both Mn(1)-F(1) bond lengths are 2.53 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form distorted MnO2F5 pentagonal bipyramids that share corners with three equivalent Mn(4)O2F4 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra, edges with two equivalent Ca(1)O4F2 octahedra, edges with two equivalent Mn(1)O4F2 octahedra, edges with two equivalent Mn(2)O2F5 pentagonal bipyramids, and  a faceface with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-67°. The Mn(2)-O(1) bond length is 2.08 Å. The Mn(2)-O(2) bond length is 2.10 Å. The Mn(2)-F(3) bond length is 2.16 Å. There is one shorter (2.18 Å) and one longer (2.38 Å) Mn(2)-F(1) bond length. There is one shorter (2.17 Å) and one longer (2.47 Å) Mn(2)-F(4) bond length. In the third Mn site, Mn(3) is bonded to one O(3), two equivalent O(1), one F(2), and two equivalent F(3) atoms to form MnO3F3 octahedra that share corners with two equivalent Ca(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with six equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(2)O2F5 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 44-60°. The Mn(3)-O(3) bond length is 1.93 Å. Both Mn(3)-O(1) bond lengths are 2.01 Å. The Mn(3)-F(2) bond length is 2.05 Å. Both Mn(3)-F(3) bond lengths are 2.45 Å. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one F(1), one F(2), one F(3), and one F(4) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Ca(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(3)O3F3 octahedra, corners with three equivalent Mn(2)O2F5 pentagonal bipyramids,  an edgeedge with one Mn(4)O2F4 octahedra, and  a faceface with one Mn(2)O2F5 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 31-66°. The Mn(4)-O(2) bond length is 1.99 Å. The Mn(4)-O(3) bond length is 2.01 Å. The Mn(4)-F(1) bond length is 2.13 Å. The Mn(4)-F(2) bond length is 2.44 Å. The Mn(4)-F(3) bond length is 2.05 Å. The Mn(4)-F(4) bond length is 2.24 Å. There are three 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 distorted OCaMn3 tetrahedra that share  a cornercorner with one O(1)CaMn3 tetrahedra, corners with five equivalent O(2)CaMn3 tetrahedra, corners with two equivalent F(4)CaMn3 trigonal pyramids,  an edgeedge with one O(1)CaMn3 tetrahedra, and  an edgeedge with one F(4)CaMn3 trigonal pyramid. In the second O site, O(2) is bonded to one Ca(1), one Mn(1), one Mn(2), and one Mn(4) atom to form distorted OCaMn3 tetrahedra that share corners with five equivalent O(1)CaMn3 tetrahedra,  a cornercorner with one F(4)CaMn3 trigonal pyramid,  an edgeedge with one O(2)CaMn3 tetrahedra, and edges with two equivalent F(4)CaMn3 trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to one Mn(1), one Mn(4), and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(3) and two equivalent Mn(4) atoms. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth F site, F(4) is bonded to one Ca(1), one Mn(4), and two equivalent Mn(2) atoms to form distorted FCaMn3 trigonal pyramids that share  a cornercorner with one O(2)CaMn3 tetrahedra, corners with two equivalent O(1)CaMn3 tetrahedra, corners with three equivalent F(4)CaMn3 trigonal pyramids,  an edgeedge with one O(1)CaMn3 tetrahedra, and edges with two equivalent O(2)CaMn3 tetrahedra.