Ba(BH4)2 crystallizes in the orthorhombic Pbcn space group. Ba(1) is bonded in a 14-coordinate geometry to two equivalent H(3), four equivalent H(1), four equivalent H(2), and four equivalent H(4) atoms. B(1) is bonded in a tetrahedral geometry to one H(1), one H(2), one H(3), and one H(4) atom. There are four inequivalent H sites. In the first H site, H(4) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. In the second H site, H(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. In the third H site, H(2) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. In the fourth H site, H(3) is bonded in a single-bond geometry to one Ba(1) and one B(1) atom.
Ba(BH4)2 crystallizes in the orthorhombic Pbcn space group. Ba(1) is bonded in a 14-coordinate geometry to two equivalent H(3), four equivalent H(1), four equivalent H(2), and four equivalent H(4) atoms. Both Ba(1)-H(3) bond lengths are 2.76 Å. There are two shorter (2.83 Å) and two longer (2.93 Å) Ba(1)-H(1) bond lengths. There are two shorter (2.75 Å) and two longer (2.76 Å) Ba(1)-H(2) bond lengths. There are two shorter (2.89 Å) and two longer (3.06 Å) Ba(1)-H(4) bond lengths. B(1) is bonded in a tetrahedral geometry to one H(1), one H(2), one H(3), and one H(4) atom. The B(1)-H(1) bond length is 1.23 Å. The B(1)-H(2) bond length is 1.23 Å. The B(1)-H(3) bond length is 1.22 Å. The B(1)-H(4) bond length is 1.23 Å. There are four inequivalent H sites. In the first H site, H(4) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. In the second H site, H(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. In the third H site, H(2) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. In the fourth H site, H(3) is bonded in a single-bond geometry to one Ba(1) and one B(1) atom.