BaMg14CO16 crystallizes in the orthorhombic Pmmm space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form BaO6 octahedra that share corners with two equivalent Ba(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Ba(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with two equivalent Mg(4)O6 octahedra, corners with four equivalent Mg(3)O6 octahedra, edges with two equivalent Ba(1)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, edges with two equivalent Mg(6)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth Mg site, Mg(4) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth Mg site, Mg(5) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(6)O6 octahedra, corners with four equivalent Mg(5)O6 octahedra, edges with two equivalent Ba(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth Mg site, Mg(6) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the seventh Mg site, Mg(7) is bonded to one O(1), one O(2), one O(8), one O(9), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mg(7)O6 octahedra,  an edgeedge with one Ba(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mg(2)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with two equivalent Mg(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. C(1) is bonded in a linear geometry to two equivalent O(8) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Mg(1), two equivalent Mg(5), and two equivalent Mg(7) atoms to form OBaMg5 octahedra that share corners with four equivalent O(1)BaMg5 octahedra, corners with two equivalent O(2)Mg5 square pyramids, edges with two equivalent O(4)Ba2Mg4 octahedra, edges with two equivalent O(8)BaMg4C octahedra, edges with two equivalent O(6)Mg6 octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), and two equivalent Mg(7) atoms to form OMg5 square pyramids that share corners with two equivalent O(8)BaMg4C octahedra, corners with two equivalent O(1)BaMg5 octahedra, corners with three equivalent O(2)Mg5 square pyramids, edges with two equivalent O(7)Mg6 octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 6-95°. In the third O site, O(3) is bonded to one Mg(3), one Mg(4), one Mg(5), one Mg(6), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with six equivalent O(3)Mg6 octahedra,  an edgeedge with one O(4)Ba2Mg4 octahedra,  an edgeedge with one O(6)Mg6 octahedra,  an edgeedge with one O(7)Mg6 octahedra, edges with two equivalent O(8)BaMg4C octahedra, edges with two equivalent O(1)BaMg5 octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with two equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(4) is bonded to two equivalent Ba(1), two equivalent Mg(3), and two equivalent Mg(5) atoms to form OBa2Mg4 octahedra that share corners with two equivalent O(4)Ba2Mg4 octahedra, corners with two equivalent O(6)Mg6 octahedra, edges with four equivalent O(8)BaMg4C octahedra, edges with four equivalent O(1)BaMg5 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded in a square co-planar geometry to two equivalent Mg(3) and two equivalent Mg(6) atoms. In the sixth O site, O(6) is bonded to two equivalent Mg(1), two equivalent Mg(4), and two equivalent Mg(5) atoms to form OMg6 octahedra that share corners with two equivalent O(4)Ba2Mg4 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(1)BaMg5 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with four equivalent O(9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded to two equivalent Mg(2), two equivalent Mg(4), and two equivalent Mg(6) atoms to form OMg6 octahedra that share corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, edges with four equivalent O(9)Mg6 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded to one Ba(1), two equivalent Mg(3), two equivalent Mg(7), and one C(1) atom to form OBaMg4C octahedra that share corners with two equivalent O(9)Mg6 octahedra, corners with four equivalent O(8)BaMg4C octahedra, corners with two equivalent O(2)Mg5 square pyramids, edges with two equivalent O(4)Ba2Mg4 octahedra, edges with two equivalent O(1)BaMg5 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the ninth O site, O(9) is bonded to one Mg(1), one Mg(2), two equivalent Mg(4), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with two equivalent O(8)BaMg4C octahedra, corners with four equivalent O(9)Mg6 octahedra, edges with two equivalent O(1)BaMg5 octahedra, edges with two equivalent O(6)Mg6 octahedra, edges with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with two equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-4°.
BaMg14CO16 crystallizes in the orthorhombic Pmmm space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form BaO6 octahedra that share corners with two equivalent Ba(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. Both Ba(1)-O(1) bond lengths are 2.45 Å. Both Ba(1)-O(4) bond lengths are 2.25 Å. Both Ba(1)-O(8) bond lengths are 2.45 Å. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(9) atoms to form MgO6 octahedra that share corners with two equivalent Ba(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. Both Mg(1)-O(1) bond lengths are 1.92 Å. Both Mg(1)-O(6) bond lengths are 2.25 Å. Both Mg(1)-O(9) bond lengths are 2.22 Å. In the second Mg site, Mg(2) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. Both Mg(2)-O(2) bond lengths are 2.11 Å. Both Mg(2)-O(7) bond lengths are 2.25 Å. Both Mg(2)-O(9) bond lengths are 2.10 Å. In the third Mg site, Mg(3) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with two equivalent Mg(4)O6 octahedra, corners with four equivalent Mg(3)O6 octahedra, edges with two equivalent Ba(1)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, edges with two equivalent Mg(6)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. The Mg(3)-O(4) bond length is 2.30 Å. The Mg(3)-O(5) bond length is 2.02 Å. Both Mg(3)-O(3) bond lengths are 2.18 Å. Both Mg(3)-O(8) bond lengths are 2.25 Å. In the fourth Mg site, Mg(4) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. The Mg(4)-O(6) bond length is 2.18 Å. The Mg(4)-O(7) bond length is 2.14 Å. Both Mg(4)-O(3) bond lengths are 2.20 Å. Both Mg(4)-O(9) bond lengths are 2.25 Å. In the fifth Mg site, Mg(5) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(6)O6 octahedra, corners with four equivalent Mg(5)O6 octahedra, edges with two equivalent Ba(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. The Mg(5)-O(4) bond length is 2.31 Å. The Mg(5)-O(6) bond length is 2.07 Å. Both Mg(5)-O(1) bond lengths are 2.25 Å. Both Mg(5)-O(3) bond lengths are 2.17 Å. In the sixth Mg site, Mg(6) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. The Mg(6)-O(5) bond length is 2.17 Å. The Mg(6)-O(7) bond length is 2.21 Å. Both Mg(6)-O(2) bond lengths are 2.25 Å. Both Mg(6)-O(3) bond lengths are 2.16 Å. In the seventh Mg site, Mg(7) is bonded to one O(1), one O(2), one O(8), one O(9), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mg(7)O6 octahedra,  an edgeedge with one Ba(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mg(2)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with two equivalent Mg(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. The Mg(7)-O(1) bond length is 2.26 Å. The Mg(7)-O(2) bond length is 2.07 Å. The Mg(7)-O(8) bond length is 2.26 Å. The Mg(7)-O(9) bond length is 2.13 Å. Both Mg(7)-O(3) bond lengths are 2.25 Å. C(1) is bonded in a linear geometry to two equivalent O(8) atoms. Both C(1)-O(8) bond lengths are 1.87 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Mg(1), two equivalent Mg(5), and two equivalent Mg(7) atoms to form OBaMg5 octahedra that share corners with four equivalent O(1)BaMg5 octahedra, corners with two equivalent O(2)Mg5 square pyramids, edges with two equivalent O(4)Ba2Mg4 octahedra, edges with two equivalent O(8)BaMg4C octahedra, edges with two equivalent O(6)Mg6 octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), and two equivalent Mg(7) atoms to form OMg5 square pyramids that share corners with two equivalent O(8)BaMg4C octahedra, corners with two equivalent O(1)BaMg5 octahedra, corners with three equivalent O(2)Mg5 square pyramids, edges with two equivalent O(7)Mg6 octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 6-95°. In the third O site, O(3) is bonded to one Mg(3), one Mg(4), one Mg(5), one Mg(6), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with six equivalent O(3)Mg6 octahedra,  an edgeedge with one O(4)Ba2Mg4 octahedra,  an edgeedge with one O(6)Mg6 octahedra,  an edgeedge with one O(7)Mg6 octahedra, edges with two equivalent O(8)BaMg4C octahedra, edges with two equivalent O(1)BaMg5 octahedra, edges with two equivalent O(9)Mg6 octahedra, and edges with two equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(4) is bonded to two equivalent Ba(1), two equivalent Mg(3), and two equivalent Mg(5) atoms to form OBa2Mg4 octahedra that share corners with two equivalent O(4)Ba2Mg4 octahedra, corners with two equivalent O(6)Mg6 octahedra, edges with four equivalent O(8)BaMg4C octahedra, edges with four equivalent O(1)BaMg5 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded in a square co-planar geometry to two equivalent Mg(3) and two equivalent Mg(6) atoms. In the sixth O site, O(6) is bonded to two equivalent Mg(1), two equivalent Mg(4), and two equivalent Mg(5) atoms to form OMg6 octahedra that share corners with two equivalent O(4)Ba2Mg4 octahedra, corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(1)BaMg5 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with four equivalent O(9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded to two equivalent Mg(2), two equivalent Mg(4), and two equivalent Mg(6) atoms to form OMg6 octahedra that share corners with two equivalent O(6)Mg6 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, edges with four equivalent O(9)Mg6 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded to one Ba(1), two equivalent Mg(3), two equivalent Mg(7), and one C(1) atom to form OBaMg4C octahedra that share corners with two equivalent O(9)Mg6 octahedra, corners with four equivalent O(8)BaMg4C octahedra, corners with two equivalent O(2)Mg5 square pyramids, edges with two equivalent O(4)Ba2Mg4 octahedra, edges with two equivalent O(1)BaMg5 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the ninth O site, O(9) is bonded to one Mg(1), one Mg(2), two equivalent Mg(4), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with two equivalent O(8)BaMg4C octahedra, corners with four equivalent O(9)Mg6 octahedra, edges with two equivalent O(1)BaMg5 octahedra, edges with two equivalent O(6)Mg6 octahedra, edges with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with two equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-4°.