Ca4Mn3B3CO15 crystallizes in the hexagonal P6_3 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and three equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(4), and three equivalent O(5) atoms. Mn(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing MnO6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. C(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Mn(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ca(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Mn(1), and one B(1) atom. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), and two equivalent Mn(1) atoms to form distorted corner-sharing OCa2Mn2 tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Mn(1), and one B(1) atom.
Ca4Mn3B3CO15 crystallizes in the hexagonal P6_3 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and three equivalent O(2) atoms. The Ca(1)-O(1) bond length is 2.42 Å. The Ca(1)-O(3) bond length is 2.39 Å. The Ca(1)-O(4) bond length is 2.36 Å. The Ca(1)-O(5) bond length is 2.40 Å. There are a spread of Ca(1)-O(2) bond distances ranging from 2.45-2.77 Å. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(4), and three equivalent O(5) atoms. All Ca(2)-O(1) bond lengths are 2.62 Å. All Ca(2)-O(4) bond lengths are 2.35 Å. All Ca(2)-O(5) bond lengths are 2.68 Å. Mn(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing MnO6 octahedra. The Mn(1)-O(1) bond length is 2.01 Å. The Mn(1)-O(5) bond length is 2.01 Å. There is one shorter (2.27 Å) and one longer (2.28 Å) Mn(1)-O(3) bond length. Both Mn(1)-O(4) bond lengths are 1.91 Å. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. The B(1)-O(1) bond length is 1.39 Å. The B(1)-O(3) bond length is 1.39 Å. The B(1)-O(5) bond length is 1.40 Å. C(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. All C(1)-O(2) bond lengths are 1.30 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Mn(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ca(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Mn(1), and one B(1) atom. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), and two equivalent Mn(1) atoms to form distorted corner-sharing OCa2Mn2 tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Mn(1), and one B(1) atom.