Li(BH)4(BH)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight hydridoboron(2.) (singlet) molecules and four Li(BH)4 clusters. In each Li(BH)4 cluster, Li(1) is bonded in a 3-coordinate geometry to one H(1), one H(4), one H(5), and one H(6) atom. There are four inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one H(4) atom. In the second B site, B(3) is bonded in a single-bond geometry to one H(5) atom. In the third B site, B(4) is bonded in a single-bond geometry to one H(6) atom. In the fourth B site, B(6) is bonded in a single-bond geometry to one H(1) atom. There are four inequivalent H sites. In the first H site, H(4) is bonded in a bent 120 degrees geometry to one Li(1) and one B(1) atom. In the second H site, H(5) is bonded in a distorted L-shaped geometry to one Li(1) and one B(3) atom. In the third H site, H(6) is bonded in an L-shaped geometry to one Li(1) and one B(4) atom. In the fourth H site, H(1) is bonded in a water-like geometry to one Li(1) and one B(6) atom.
Li(BH)4(BH)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight hydridoboron(2.) (singlet) molecules and four Li(BH)4 clusters. In each Li(BH)4 cluster, Li(1) is bonded in a 3-coordinate geometry to one H(1), one H(4), one H(5), and one H(6) atom. The Li(1)-H(1) bond length is 2.10 Å. The Li(1)-H(4) bond length is 1.94 Å. The Li(1)-H(5) bond length is 2.26 Å. The Li(1)-H(6) bond length is 2.07 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one H(4) atom. The B(1)-H(4) bond length is 1.20 Å. In the second B site, B(3) is bonded in a single-bond geometry to one H(5) atom. The B(3)-H(5) bond length is 1.20 Å. In the third B site, B(4) is bonded in a single-bond geometry to one H(6) atom. The B(4)-H(6) bond length is 1.20 Å. In the fourth B site, B(6) is bonded in a single-bond geometry to one H(1) atom. The B(6)-H(1) bond length is 1.21 Å. There are four inequivalent H sites. In the first H site, H(4) is bonded in a bent 120 degrees geometry to one Li(1) and one B(1) atom. In the second H site, H(5) is bonded in a distorted L-shaped geometry to one Li(1) and one B(3) atom. In the third H site, H(6) is bonded in an L-shaped geometry to one Li(1) and one B(4) atom. In the fourth H site, H(1) is bonded in a water-like geometry to one Li(1) and one B(6) atom.