CsSr(BH4)3 crystallizes in the orthorhombic P2_12_12 space group. Cs(1) is bonded in a 2-coordinate geometry to two equivalent H(3) atoms. Sr(1) is bonded to two equivalent H(1), two equivalent H(2), two equivalent H(3), two equivalent H(4), two equivalent H(5), and two equivalent H(6) atoms to form SrH12 cuboctahedra that share edges with two equivalent B(2)H4 tetrahedra and edges with four equivalent B(1)H4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to one H(1), one H(2), one H(3), and one H(4) atom to form BH4 tetrahedra that share edges with two equivalent Sr(1)H12 cuboctahedra. In the second B site, B(2) is bonded to two equivalent H(5) and two equivalent H(6) atoms to form BH4 tetrahedra that share edges with two equivalent Sr(1)H12 cuboctahedra. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Sr(1) and one B(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one Sr(1) and one B(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Cs(1), one Sr(1), and one B(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Sr(1) and one B(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one Sr(1) and one B(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one Sr(1) and one B(2) atom.
CsSr(BH4)3 crystallizes in the orthorhombic P2_12_12 space group. Cs(1) is bonded in a 2-coordinate geometry to two equivalent H(3) atoms. Both Cs(1)-H(3) bond lengths are 3.05 Å. Sr(1) is bonded to two equivalent H(1), two equivalent H(2), two equivalent H(3), two equivalent H(4), two equivalent H(5), and two equivalent H(6) atoms to form SrH12 cuboctahedra that share edges with two equivalent B(2)H4 tetrahedra and edges with four equivalent B(1)H4 tetrahedra. Both Sr(1)-H(1) bond lengths are 2.62 Å. Both Sr(1)-H(2) bond lengths are 2.45 Å. Both Sr(1)-H(3) bond lengths are 2.69 Å. Both Sr(1)-H(4) bond lengths are 2.53 Å. Both Sr(1)-H(5) bond lengths are 2.62 Å. Both Sr(1)-H(6) bond lengths are 2.62 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded to one H(1), one H(2), one H(3), and one H(4) atom to form BH4 tetrahedra that share edges with two equivalent Sr(1)H12 cuboctahedra. 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 1.23 Å. The B(1)-H(4) bond length is 1.22 Å. In the second B site, B(2) is bonded to two equivalent H(5) and two equivalent H(6) atoms to form BH4 tetrahedra that share edges with two equivalent Sr(1)H12 cuboctahedra. Both B(2)-H(5) bond lengths are 1.23 Å. Both B(2)-H(6) bond lengths are 1.23 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Sr(1) and one B(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one Sr(1) and one B(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Cs(1), one Sr(1), and one B(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Sr(1) and one B(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one Sr(1) and one B(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one Sr(1) and one B(2) atom.