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Materials Data on Na2Sn(CO2)4 by Materials Project

Na2Sn(CO2)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted edge-sharing NaO6 pentagonal pyramids. There are a spread of Na–O bond distances ranging from 2.41–2.61 Å. Sn4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.29 Å) and two longer (2.40 Å) Sn–O bond lengths. There are two inequivalent C+2.50+ sites. In the first C+2.50+ site, C+2.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. In the second C+2.50+ site, C+2.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Sn4+, and one C+2.50+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Sn4+, and one C+2.50+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Na1+ and one C+2.50+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one C+2.50+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Na2Sn by Materials Project

Na2Sn crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 3-coordinate geometry to four equivalent Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.21–3.67 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to four equivalent Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.36–3.41 Å. Sn is bonded in a 9-coordinate geometry to eight Na and one Sn atom. The Sn–Sn bond length is 2.88 Å.

36 MATERIALS SCIENCE↗