NaLaH2S2O9 crystallizes in the trigonal P3_1 space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. La(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(6), and one O(8) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(7), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(2) atom. In the second O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(1) atom. In the third O site, O(9) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(2) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(1) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(2) atom. In the seventh O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(1) atom. In the eighth O site, O(5) is bonded in a distorted water-like geometry to one La(1), one H(1), and one H(2) atom. In the ninth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(1) atom.
NaLaH2S2O9 crystallizes in the trigonal P3_1 space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. The Na(1)-O(1) bond length is 2.47 Å. The Na(1)-O(2) bond length is 2.65 Å. The Na(1)-O(3) bond length is 2.49 Å. The Na(1)-O(4) bond length is 2.71 Å. The Na(1)-O(6) bond length is 2.47 Å. The Na(1)-O(7) bond length is 2.67 Å. The Na(1)-O(8) bond length is 2.51 Å. The Na(1)-O(9) bond length is 2.71 Å. La(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. The La(1)-O(1) bond length is 2.52 Å. The La(1)-O(2) bond length is 2.55 Å. The La(1)-O(3) bond length is 2.71 Å. The La(1)-O(4) bond length is 2.57 Å. The La(1)-O(5) bond length is 2.51 Å. The La(1)-O(6) bond length is 2.52 Å. The La(1)-O(7) bond length is 2.55 Å. The La(1)-O(8) bond length is 2.72 Å. The La(1)-O(9) bond length is 2.57 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. The H(1)-O(5) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. The H(2)-O(5) bond length is 0.98 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(6), and one O(8) atom. The S(1)-O(2) bond length is 1.50 Å. The S(1)-O(4) bond length is 1.49 Å. The S(1)-O(6) bond length is 1.49 Å. The S(1)-O(8) bond length is 1.50 Å. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(7), and one O(9) atom. The S(2)-O(1) bond length is 1.48 Å. The S(2)-O(3) bond length is 1.50 Å. The S(2)-O(7) bond length is 1.50 Å. The S(2)-O(9) bond length is 1.49 Å. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(2) atom. In the second O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(1) atom. In the third O site, O(9) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(2) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(1) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(2) atom. In the seventh O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(1) atom. In the eighth O site, O(5) is bonded in a distorted water-like geometry to one La(1), one H(1), and one H(2) atom. In the ninth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(1) atom.