BaB12H12 is Magnesium structured and crystallizes in the trigonal P31c space group. The structure is zero-dimensional and consists of two BaB12H12 clusters. Ba(1) is bonded in a distorted cuboctahedral geometry to three equivalent H(1), three equivalent H(2), three equivalent H(3), and three equivalent H(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one H(1) atom. In the second B site, B(2) is bonded in a single-bond geometry to one H(2) atom. In the third B site, B(3) is bonded in a single-bond geometry to one H(3) atom. In the fourth B site, B(4) is bonded in a single-bond geometry to one H(4) atom. There are four inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one Ba(1) and one B(2) atom. In the second H site, H(3) is bonded in a distorted single-bond geometry to one Ba(1) and one B(3) atom. In the third H site, H(4) is bonded in a single-bond geometry to one Ba(1) and one B(4) atom. In the fourth H site, H(1) is bonded in a distorted single-bond geometry to one Ba(1) and one B(1) atom.
BaB12H12 is Magnesium structured and crystallizes in the trigonal P31c space group. The structure is zero-dimensional and consists of two BaB12H12 clusters. Ba(1) is bonded in a distorted cuboctahedral geometry to three equivalent H(1), three equivalent H(2), three equivalent H(3), and three equivalent H(4) atoms. All Ba(1)-H(1) bond lengths are 2.73 Å. All Ba(1)-H(2) bond lengths are 2.79 Å. All Ba(1)-H(3) bond lengths are 2.77 Å. All Ba(1)-H(4) bond lengths are 2.97 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one H(1) atom. The B(1)-H(1) bond length is 1.20 Å. In the second B site, B(2) is bonded in a single-bond geometry to one H(2) atom. The B(2)-H(2) bond length is 1.20 Å. In the third B site, B(3) is bonded in a single-bond geometry to one H(3) atom. The B(3)-H(3) bond length is 1.20 Å. In the fourth B site, B(4) is bonded in a single-bond geometry to one H(4) atom. The B(4)-H(4) bond length is 1.20 Å. There are four inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one Ba(1) and one B(2) atom. In the second H site, H(3) is bonded in a distorted single-bond geometry to one Ba(1) and one B(3) atom. In the third H site, H(4) is bonded in a single-bond geometry to one Ba(1) and one B(4) atom. In the fourth H site, H(1) is bonded in a distorted single-bond geometry to one Ba(1) and one B(1) atom.