LiBa2(CO3)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one C(2), one O(4), one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Ba(1), two equivalent Ba(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(1), one Ba(1), two equivalent Ba(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Ba(1), two equivalent Ba(2), and one C(2) atom.
LiBa2(CO3)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. The Li(1)-O(4) bond length is 1.82 Å. The Li(1)-O(5) bond length is 1.93 Å. The Li(1)-O(6) bond length is 1.94 Å. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one C(2), one O(4), one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. The Ba(1)-C(2) bond length is 2.92 Å. The Ba(1)-O(4) bond length is 2.89 Å. The Ba(1)-O(5) bond length is 2.95 Å. The Ba(1)-O(6) bond length is 2.94 Å. There is one shorter (2.77 Å) and one longer (2.90 Å) Ba(1)-O(1) bond length. There is one shorter (2.76 Å) and one longer (2.90 Å) Ba(1)-O(2) bond length. There is one shorter (3.11 Å) and one longer (3.12 Å) Ba(1)-O(3) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. The Ba(2)-O(1) bond length is 2.93 Å. The Ba(2)-O(2) bond length is 2.94 Å. The Ba(2)-O(3) bond length is 2.70 Å. There is one shorter (2.94 Å) and one longer (2.98 Å) Ba(2)-O(4) bond length. There is one shorter (2.77 Å) and one longer (2.87 Å) Ba(2)-O(5) bond length. There is one shorter (2.78 Å) and one longer (2.86 Å) Ba(2)-O(6) bond length. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.31 Å. The C(1)-O(2) bond length is 1.31 Å. The C(1)-O(3) bond length is 1.30 Å. In the second C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one O(4), one O(5), and one O(6) atom. The C(2)-O(4) bond length is 1.37 Å. The C(2)-O(5) bond length is 1.38 Å. The C(2)-O(6) bond length is 1.38 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Ba(1), two equivalent Ba(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(1), one Ba(1), two equivalent Ba(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Ba(1), two equivalent Ba(2), and one C(2) atom.