CsY(BH4)4 crystallizes in the tetragonal I4_1/a space group. Cs(1) is bonded in a 8-coordinate geometry to eight equivalent H(4) atoms. Y(1) is bonded in a 12-coordinate geometry to four equivalent H(1), four equivalent H(2), and four equivalent H(3) 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(2) is bonded in a distorted single-bond geometry to one Y(1) and one B(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one Y(1) and one B(1) atom. In the third H site, H(4) is bonded in a single-bond geometry to two equivalent Cs(1) and one B(1) atom. In the fourth H site, H(1) is bonded in a single-bond geometry to one Y(1) and one B(1) atom.
CsY(BH4)4 crystallizes in the tetragonal I4_1/a space group. Cs(1) is bonded in a 8-coordinate geometry to eight equivalent H(4) atoms. There are four shorter (3.19 Å) and four longer (3.36 Å) Cs(1)-H(4) bond lengths. Y(1) is bonded in a 12-coordinate geometry to four equivalent H(1), four equivalent H(2), and four equivalent H(3) atoms. All Y(1)-H(1) bond lengths are 2.36 Å. All Y(1)-H(2) bond lengths are 2.35 Å. All Y(1)-H(3) bond lengths are 2.35 Å. 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 1.24 Å. The B(1)-H(2) bond length is 1.24 Å. The B(1)-H(3) bond length is 1.24 Å. The B(1)-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 distorted single-bond geometry to one Y(1) and one B(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one Y(1) and one B(1) atom. In the third H site, H(4) is bonded in a single-bond geometry to two equivalent Cs(1) and one B(1) atom. In the fourth H site, H(1) is bonded in a single-bond geometry to one Y(1) and one B(1) atom.