NaK(BH4)2 crystallizes in the trigonal R3 space group. K(1) is bonded in a 12-coordinate geometry to three equivalent H(1), three equivalent H(4), and six equivalent H(3) atoms. Na(1) is bonded in a 9-coordinate geometry to three equivalent H(1), three equivalent H(2), and three equivalent H(3) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one H(2) and three equivalent H(3) atoms. In the second B site, B(2) is bonded in a tetrahedral geometry to one H(4) and three equivalent H(1) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a 1-coordinate geometry to one K(1), one Na(1), and one B(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to three equivalent Na(1) and one B(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to two equivalent K(1), one Na(1), and one B(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to three equivalent K(1) and one B(2) atom.
NaK(BH4)2 crystallizes in the trigonal R3 space group. K(1) is bonded in a 12-coordinate geometry to three equivalent H(1), three equivalent H(4), and six equivalent H(3) atoms. All K(1)-H(1) bond lengths are 2.82 Å. All K(1)-H(4) bond lengths are 2.71 Å. There are three shorter (2.82 Å) and three longer (2.83 Å) K(1)-H(3) bond lengths. Na(1) is bonded in a 9-coordinate geometry to three equivalent H(1), three equivalent H(2), and three equivalent H(3) atoms. All Na(1)-H(1) bond lengths are 2.35 Å. All Na(1)-H(2) bond lengths are 2.65 Å. All Na(1)-H(3) bond lengths are 2.45 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one H(2) and three equivalent H(3) atoms. The B(1)-H(2) bond length is 1.23 Å. All B(1)-H(3) bond lengths are 1.23 Å. In the second B site, B(2) is bonded in a tetrahedral geometry to one H(4) and three equivalent H(1) atoms. The B(2)-H(4) bond length is 1.23 Å. All B(2)-H(1) bond lengths are 1.23 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a 1-coordinate geometry to one K(1), one Na(1), and one B(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to three equivalent Na(1) and one B(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to two equivalent K(1), one Na(1), and one B(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to three equivalent K(1) and one B(2) atom.