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Materials Data on Sn(NF)2 by Materials Project

Sn(NF)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Sn(NF)2 sheets oriented in the (0, 1, 0) direction. Sn4+ is bonded to four equivalent F1- atoms to form distorted edge-sharing SnF4 hexagonal bipyramids. All Sn–F bond lengths are 2.35 Å. N1- is bonded in a 2-coordinate geometry to one N1- and one F1- atom. The N–N bond length is 1.12 Å. The N–F bond length is 2.55 Å. F1- is bonded in a 3-coordinate geometry to two equivalent Sn4+ and one N1- atom.

36 MATERIALS SCIENCE↗

Materials Data on SnH4(NF)2 by Materials Project

SnH4(NF)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two SnH4(NF)2 ribbons oriented in the (0, 1, 0) direction. Sn4+ is bonded to four equivalent N3- and two equivalent F1- atoms to form edge-sharing SnN4F2 octahedra. All Sn–N bond lengths are 2.18 Å. Both Sn–F bond lengths are 2.05 Å. N3- is bonded in a distorted water-like geometry to two equivalent Sn4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. F1- is bonded in a single-bond geometry to one Sn4+ atom.

36 MATERIALS SCIENCE↗