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Materials Data on Sr2Sn(HO)8 by Materials Project

Sr2Sn(OH)8 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Sr2Sn(OH)8 sheet oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.81 Å. Sn4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.08–2.13 Å. There are four inequivalent H1+ sites. In the first 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 second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.03 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 O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+, one Sn4+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, one Sn4+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, one Sn4+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one H1+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Sr2Sn by Materials Project

Sr2Sn is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Sr–Sn bond distances ranging from 3.51–3.97 Å. In the second Sr site, Sr is bonded to four equivalent Sn atoms to form a mixture of corner and edge-sharing SrSn4 tetrahedra. There are a spread of Sr–Sn bond distances ranging from 3.35–3.44 Å. Sn is bonded in a 9-coordinate geometry to nine Sr atoms.

36 MATERIALS SCIENCE↗