BaO3Cl crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and one Cl(2) atom. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to two equivalent O(4), two equivalent O(6), one Cl(1), and three equivalent Cl(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one O(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one O(3) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one O(2) and one O(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2) and one O(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Cl(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Ba(2) and one O(3) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 1-coordinate geometry to one Ba(2) and one O(5) atom. In the second Cl site, Cl(2) is bonded to one Ba(1) and three equivalent Ba(2) atoms to form distorted corner-sharing ClBa4 trigonal pyramids.
BaO3Cl crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and one Cl(2) atom. There is one shorter (2.87 Å) and one longer (3.05 Å) Ba(1)-O(1) bond length. There is one shorter (2.70 Å) and one longer (2.74 Å) Ba(1)-O(2) bond length. There is one shorter (2.64 Å) and one longer (2.71 Å) Ba(1)-O(5) bond length. The Ba(1)-Cl(2) bond length is 3.38 Å. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to two equivalent O(4), two equivalent O(6), one Cl(1), and three equivalent Cl(2) atoms. There is one shorter (2.83 Å) and one longer (2.86 Å) Ba(2)-O(4) bond length. There is one shorter (2.70 Å) and one longer (2.72 Å) Ba(2)-O(6) bond length. The Ba(2)-Cl(1) bond length is 3.19 Å. There are a spread of Ba(2)-Cl(2) bond distances ranging from 3.28-3.67 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one O(4) atom. The O(1)-O(4) bond length is 1.30 Å. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one O(3) atom. The O(2)-O(3) bond length is 1.38 Å. In the third O site, O(3) is bonded in a distorted water-like geometry to one O(2) and one O(6) atom. The O(3)-O(6) bond length is 1.42 Å. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2) and one O(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Cl(1) atom. The O(5)-Cl(1) bond length is 1.67 Å. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Ba(2) and one O(3) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 1-coordinate geometry to one Ba(2) and one O(5) atom. In the second Cl site, Cl(2) is bonded to one Ba(1) and three equivalent Ba(2) atoms to form distorted corner-sharing ClBa4 trigonal pyramids.