BaMg14O16C crystallizes in the tetragonal P4/mmm space group. The structure consists of one 02329_fluka atom inside a BaMg14O16 framework. In the BaMg14O16 framework, Ba(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form BaO6 octahedra that share corners with two equivalent Ba(1)O6 octahedra; corners with four equivalent Mg(1)O6 octahedra; edges with four equivalent Mg(4)O6 octahedra; and edges with eight Mg(2,2)O6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Ba(1)O6 octahedra; corners with two equivalent Mg(1)O6 octahedra; edges with four Mg(2,2)O6 octahedra; edges with four equivalent Mg(3)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(3)O6 octahedra; corners with four Mg(2,2)O6 octahedra; edges with two equivalent Ba(1)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two Mg(2,2)O6 octahedra; edges with two equivalent Mg(3)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third Mg site, Mg(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(3)O6 octahedra; corners with four Mg(2,2)O6 octahedra; edges with two equivalent Ba(1)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two Mg(2,2)O6 octahedra; edges with two equivalent Mg(3)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth Mg site, Mg(3) is bonded to one O(5), one O(6), 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 fifth Mg site, Mg(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mg(4)O6 octahedra,  an edgeedge with one Ba(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Mg(1), two equivalent Mg(2), and two equivalent Mg(4) 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(1)BaMg5 octahedra, edges with two equivalent O(5)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 0-6°. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted OMg5 square pyramids that share corners with two equivalent O(1)BaMg5 octahedra, corners with five equivalent O(2)Mg5 square pyramids, edges with two equivalent O(1)BaMg5 octahedra, edges with two equivalent O(5)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the third O site, O(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form OMg6 octahedra that share corners with six equivalent O(3)Mg6 octahedra,  an edgeedge with one O(4)Ba2Mg4 octahedra, edges with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(1)BaMg5 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 2-7°. In the fourth O site, O(4) is bonded to two equivalent Ba(1) and four Mg(2,2) atoms to form OBa2Mg4 octahedra that share corners with two equivalent O(4)Ba2Mg4 octahedra, corners with four equivalent O(5)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with eight equivalent O(1)BaMg5 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to two equivalent Mg(1); two Mg(2,2); and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with two equivalent O(4)Ba2Mg4 octahedra, corners with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(1)BaMg5 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded in a square co-planar geometry to four equivalent Mg(3) atoms.
BaMg14O16C crystallizes in the tetragonal P4/mmm space group. The structure consists of one 02329_fluka atom inside a BaMg14O16 framework. In the BaMg14O16 framework, Ba(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form BaO6 octahedra that share corners with two equivalent Ba(1)O6 octahedra; corners with four equivalent Mg(1)O6 octahedra; edges with four equivalent Mg(4)O6 octahedra; and edges with eight Mg(2,2)O6 octahedra. The corner-sharing octahedra are not tilted. Both Ba(1)-O(4) bond lengths are 2.23 Å. All Ba(1)-O(1) bond lengths are 2.45 Å. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Ba(1)O6 octahedra; corners with two equivalent Mg(1)O6 octahedra; edges with four Mg(2,2)O6 octahedra; edges with four equivalent Mg(3)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedra are not tilted. Both Mg(1)-O(1) bond lengths are 1.92 Å. Both Mg(1)-O(2) bond lengths are 2.23 Å. Both Mg(1)-O(5) bond lengths are 2.23 Å. In the second Mg site, Mg(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(3)O6 octahedra; corners with four Mg(2,2)O6 octahedra; edges with two equivalent Ba(1)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two Mg(2,2)O6 octahedra; edges with two equivalent Mg(3)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. The Mg(2)-O(4) bond length is 2.33 Å. The Mg(2)-O(5) bond length is 2.04 Å. Both Mg(2)-O(1) bond lengths are 2.23 Å. Both Mg(2)-O(3) bond lengths are 2.20 Å. In the third Mg site, Mg(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(3)O6 octahedra; corners with four Mg(2,2)O6 octahedra; edges with two equivalent Ba(1)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two Mg(2,2)O6 octahedra; edges with two equivalent Mg(3)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. The Mg(2)-O(4) bond length is 2.33 Å. The Mg(2)-O(5) bond length is 2.04 Å. Both Mg(2)-O(1) bond lengths are 2.23 Å. Both Mg(2)-O(3) bond lengths are 2.20 Å. In the fourth Mg site, Mg(3) is bonded to one O(5), one O(6), 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(3)-O(5) bond length is 2.24 Å. The Mg(3)-O(6) bond length is 2.13 Å. Both Mg(3)-O(2) bond lengths are 2.23 Å. Both Mg(3)-O(3) bond lengths are 2.17 Å. In the fifth Mg site, Mg(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mg(4)O6 octahedra,  an edgeedge with one Ba(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. Both Mg(4)-O(1) bond lengths are 2.30 Å. Both Mg(4)-O(2) bond lengths are 2.08 Å. Both Mg(4)-O(3) bond lengths are 2.23 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Mg(1), two equivalent Mg(2), and two equivalent Mg(4) 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(1)BaMg5 octahedra, edges with two equivalent O(5)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 0-6°. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted OMg5 square pyramids that share corners with two equivalent O(1)BaMg5 octahedra, corners with five equivalent O(2)Mg5 square pyramids, edges with two equivalent O(1)BaMg5 octahedra, edges with two equivalent O(5)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the third O site, O(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form OMg6 octahedra that share corners with six equivalent O(3)Mg6 octahedra,  an edgeedge with one O(4)Ba2Mg4 octahedra, edges with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(1)BaMg5 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 2-7°. In the fourth O site, O(4) is bonded to two equivalent Ba(1) and four Mg(2,2) atoms to form OBa2Mg4 octahedra that share corners with two equivalent O(4)Ba2Mg4 octahedra, corners with four equivalent O(5)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with eight equivalent O(1)BaMg5 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to two equivalent Mg(1); two Mg(2,2); and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with two equivalent O(4)Ba2Mg4 octahedra, corners with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(1)BaMg5 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded in a square co-planar geometry to four equivalent Mg(3) atoms.