Ba8Bi4H2O crystallizes in the tetragonal I4/mmm space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a linear geometry to four equivalent Bi(1) and two equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one Bi(2), four equivalent Bi(1), and one O(1) atom. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one Bi(1), four equivalent Bi(2), and one H(1) atom. In the fourth Ba site, Ba(4) is bonded in a 4-coordinate geometry to four equivalent Bi(2) and four equivalent H(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one Ba(3), four equivalent Ba(1), and four equivalent Ba(2) atoms. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to one Ba(2), four equivalent Ba(3), and four equivalent Ba(4) atoms. H(1) is bonded to one Ba(3) and four equivalent Ba(4) atoms to form a mixture of distorted edge and corner-sharing HBa5 trigonal bipyramids. O(1) is bonded to two equivalent Ba(2) and four equivalent Ba(1) atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedra are not tilted.
Ba8Bi4H2O crystallizes in the tetragonal I4/mmm space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a linear geometry to four equivalent Bi(1) and two equivalent O(1) atoms. All Ba(1)-Bi(1) bond lengths are 3.73 Å. Both Ba(1)-O(1) bond lengths are 2.66 Å. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one Bi(2), four equivalent Bi(1), and one O(1) atom. The Ba(2)-Bi(2) bond length is 3.69 Å. All Ba(2)-Bi(1) bond lengths are 3.81 Å. The Ba(2)-O(1) bond length is 3.26 Å. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one Bi(1), four equivalent Bi(2), and one H(1) atom. The Ba(3)-Bi(1) bond length is 3.58 Å. All Ba(3)-Bi(2) bond lengths are 3.83 Å. The Ba(3)-H(1) bond length is 2.67 Å. In the fourth Ba site, Ba(4) is bonded in a 4-coordinate geometry to four equivalent Bi(2) and four equivalent H(1) atoms. All Ba(4)-Bi(2) bond lengths are 3.80 Å. All Ba(4)-H(1) bond lengths are 2.78 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one Ba(3), four equivalent Ba(1), and four equivalent Ba(2) atoms. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to one Ba(2), four equivalent Ba(3), and four equivalent Ba(4) atoms. H(1) is bonded to one Ba(3) and four equivalent Ba(4) atoms to form a mixture of distorted edge and corner-sharing HBa5 trigonal bipyramids. O(1) is bonded to two equivalent Ba(2) and four equivalent Ba(1) atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedra are not tilted.