Materials Data on Na2Sn2H4O5 by Materials Project

Abstract

Na2Sn2H4O5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is two-dimensional and consists of two Na2Sn2H4O5 sheets oriented in the (0, 0, 1) direction. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to two H1+ and five O2- atoms. There are one shorter (2.42 Å) and one longer (2.48 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.35–2.63 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to two H1+ and six O2- atoms. There are one shorter (2.33 Å) and one longer (2.53 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.35–2.71 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.68 Å. In the fourth Na1+ site, Na1+ is bonded in a 2-coordinate geometry to three H1+ and seven O2- atoms. There are a spread of Na–H bond distances ranging from 2.35–2.63 Å. There are a spread of Na–O bond distances ranging from 2.35–2.75 Å. There are four inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.06–2.16 Å. In the second Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.08–2.17 Å. In the third Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.05 Å) and two longer (2.16 Å) Sn–O bond lengths. In the fourth Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.07–2.17 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 0.98 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 0.97 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 0.98 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Sn2+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+, one Sn2+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Na1+, one Sn2+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+, one Sn2+, and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted tetrahedral geometry to two Na1+ and two Sn2+ atoms. In the sixth O2- site, O2- is bonded in a tetrahedral geometry to two Na1+ and two Sn2+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+, one Sn2+, and one H1+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+, one Sn2+, and one H1+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Sn2+, and one H1+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Sn2+, and one H1+ atom.