Ba2CeC3O9F crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to two equivalent O(2), two equivalent O(6), three equivalent O(3), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(5), two equivalent O(2), four equivalent O(4), and three equivalent F(1) atoms. Ce(1) is bonded in a 10-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and one F(1) atom. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(5) and two equivalent O(4) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(6) and two equivalent O(2) atoms. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Ce(1), and one C(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Ba(1), one Ba(2), one Ce(1), and one C(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(2), one Ce(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ce(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Ce(1), and one C(2) atom. F(1) is bonded to three equivalent Ba(2) and one Ce(1) atom to form a mixture of edge and corner-sharing FBa3Ce tetrahedra.
Ba2CeC3O9F crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to two equivalent O(2), two equivalent O(6), three equivalent O(3), and four equivalent O(1) atoms. Both Ba(1)-O(2) bond lengths are 2.88 Å. Both Ba(1)-O(6) bond lengths are 3.04 Å. There is one shorter (2.70 Å) and two longer (2.92 Å) Ba(1)-O(3) bond lengths. There are two shorter (2.91 Å) and two longer (2.96 Å) Ba(1)-O(1) bond lengths. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(5), two equivalent O(2), four equivalent O(4), and three equivalent F(1) atoms. The Ba(2)-O(5) bond length is 2.79 Å. Both Ba(2)-O(2) bond lengths are 2.84 Å. There are two shorter (2.84 Å) and two longer (2.92 Å) Ba(2)-O(4) bond lengths. There is one shorter (2.76 Å) and two longer (2.91 Å) Ba(2)-F(1) bond lengths. Ce(1) is bonded in a 10-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and one F(1) atom. The Ce(1)-O(6) bond length is 2.50 Å. Both Ce(1)-O(1) bond lengths are 2.51 Å. Both Ce(1)-O(2) bond lengths are 2.67 Å. Both Ce(1)-O(4) bond lengths are 2.75 Å. Both Ce(1)-O(5) bond lengths are 2.68 Å. The Ce(1)-F(1) bond length is 2.42 Å. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(5) and two equivalent O(4) atoms. The C(1)-O(5) bond length is 1.31 Å. Both C(1)-O(4) bond lengths are 1.29 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(6) and two equivalent O(2) atoms. The C(2)-O(6) bond length is 1.29 Å. Both C(2)-O(2) bond lengths are 1.30 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(1) atoms. The C(3)-O(3) bond length is 1.29 Å. Both C(3)-O(1) bond lengths are 1.31 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Ce(1), and one C(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Ba(1), one Ba(2), one Ce(1), and one C(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(2), one Ce(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ce(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Ce(1), and one C(2) atom. F(1) is bonded to three equivalent Ba(2) and one Ce(1) atom to form a mixture of edge and corner-sharing FBa3Ce tetrahedra.