NaBH4 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 8-coordinate geometry to one H(2), three equivalent H(3), and four equivalent H(1) atoms. B(1) is bonded in a tetrahedral geometry to one H(2), one H(3), and two equivalent H(1) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one B(1) atom. In the second H site, H(2) is bonded in a water-like geometry to one Na(1) and one B(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to three equivalent Na(1) and one B(1) atom.
NaBH4 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 8-coordinate geometry to one H(2), three equivalent H(3), and four equivalent H(1) atoms. The Na(1)-H(2) bond length is 2.28 Å. There is one shorter (2.43 Å) and two longer (2.48 Å) Na(1)-H(3) bond lengths. There are two shorter (2.29 Å) and two longer (2.33 Å) Na(1)-H(1) bond lengths. B(1) is bonded in a tetrahedral geometry to one H(2), one H(3), and two equivalent H(1) atoms. The B(1)-H(2) bond length is 1.22 Å. The B(1)-H(3) bond length is 1.23 Å. Both B(1)-H(1) bond lengths are 1.23 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one B(1) atom. In the second H site, H(2) is bonded in a water-like geometry to one Na(1) and one B(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to three equivalent Na(1) and one B(1) atom.