BaZn(CO3)F2 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded to six equivalent O(1) and six equivalent F(1) atoms to form BaO6F6 cuboctahedra that share edges with six equivalent Ba(1)O6F6 cuboctahedra, edges with six equivalent Zn(1)O3F2 trigonal bipyramids, and faces with two equivalent Ba(1)O6F6 cuboctahedra. Zn(1) is bonded to three equivalent O(1) and two equivalent F(1) atoms to form ZnO3F2 trigonal bipyramids that share edges with six equivalent Ba(1)O6F6 cuboctahedra. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Zn(1), and one C(1) atom. F(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Zn(1) atom.
BaZn(CO3)F2 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded to six equivalent O(1) and six equivalent F(1) atoms to form BaO6F6 cuboctahedra that share edges with six equivalent Ba(1)O6F6 cuboctahedra, edges with six equivalent Zn(1)O3F2 trigonal bipyramids, and faces with two equivalent Ba(1)O6F6 cuboctahedra. All Ba(1)-O(1) bond lengths are 3.04 Å. All Ba(1)-F(1) bond lengths are 2.88 Å. Zn(1) is bonded to three equivalent O(1) and two equivalent F(1) atoms to form ZnO3F2 trigonal bipyramids that share edges with six equivalent Ba(1)O6F6 cuboctahedra. All Zn(1)-O(1) bond lengths are 2.04 Å. Both Zn(1)-F(1) bond lengths are 2.05 Å. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. All C(1)-O(1) bond lengths are 1.30 Å. O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Zn(1), and one C(1) atom. F(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Zn(1) atom.