Mg6BiO8C crystallizes in the tetragonal P4/mmm space group. The structure consists of one 02329_fluka atom inside a Mg6BiO8 framework. In the Mg6BiO8 framework, there are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Bi(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. Bi(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form BiO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Mg(3) and one Bi(1) atom to form distorted OMg4Bi square pyramids that share corners with five equivalent O(1)Mg4Bi square pyramids, edges with four equivalent O(4)Mg4Bi2 octahedra, and edges with four equivalent O(2)Mg6 octahedra. In the second O site, O(2) is bonded to one Mg(1), one Mg(2), and four equivalent Mg(3) atoms to form OMg6 octahedra that share corners with six equivalent O(2)Mg6 octahedra, edges with four equivalent O(4)Mg4Bi2 octahedra, and edges with four equivalent O(1)Mg4Bi square pyramids. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Mg(3) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(2), two equivalent Mg(3), and two equivalent Bi(1) atoms to form OMg4Bi2 octahedra that share corners with four equivalent O(4)Mg4Bi2 octahedra, edges with four equivalent O(4)Mg4Bi2 octahedra, edges with four equivalent O(2)Mg6 octahedra, and edges with four equivalent O(1)Mg4Bi square pyramids. The corner-sharing octahedra are not tilted.
Mg6BiO8C crystallizes in the tetragonal P4/mmm space group. The structure consists of one 02329_fluka atom inside a Mg6BiO8 framework. In the Mg6BiO8 framework, there are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. Both Mg(1)-O(2) bond lengths are 2.24 Å. All Mg(1)-O(3) bond lengths are 2.23 Å. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Bi(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. Both Mg(2)-O(2) bond lengths are 2.25 Å. All Mg(2)-O(4) bond lengths are 2.23 Å. In the third Mg site, Mg(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. The Mg(3)-O(3) bond length is 2.00 Å. The Mg(3)-O(4) bond length is 2.49 Å. Both Mg(3)-O(1) bond lengths are 2.23 Å. Both Mg(3)-O(2) bond lengths are 2.24 Å. Bi(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form BiO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. Both Bi(1)-O(1) bond lengths are 2.32 Å. All Bi(1)-O(4) bond lengths are 2.23 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Mg(3) and one Bi(1) atom to form distorted OMg4Bi square pyramids that share corners with five equivalent O(1)Mg4Bi square pyramids, edges with four equivalent O(4)Mg4Bi2 octahedra, and edges with four equivalent O(2)Mg6 octahedra. In the second O site, O(2) is bonded to one Mg(1), one Mg(2), and four equivalent Mg(3) atoms to form OMg6 octahedra that share corners with six equivalent O(2)Mg6 octahedra, edges with four equivalent O(4)Mg4Bi2 octahedra, and edges with four equivalent O(1)Mg4Bi square pyramids. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Mg(3) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(2), two equivalent Mg(3), and two equivalent Bi(1) atoms to form OMg4Bi2 octahedra that share corners with four equivalent O(4)Mg4Bi2 octahedra, edges with four equivalent O(4)Mg4Bi2 octahedra, edges with four equivalent O(2)Mg6 octahedra, and edges with four equivalent O(1)Mg4Bi square pyramids. The corner-sharing octahedra are not tilted.