Materials Data on NaInSn2 by Materials Project

Abstract

NaInSn2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Na is bonded in a 12-coordinate geometry to three equivalent In and seven Sn atoms. There are a spread of Na–In bond distances ranging from 3.50–3.72 Å. There are a spread of Na–Sn bond distances ranging from 3.32–3.68 Å. In is bonded in a 7-coordinate geometry to three equivalent Na and four Sn atoms. There are a spread of In–Sn bond distances ranging from 2.91–2.93 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to three equivalent Na, two equivalent In, and two equivalent Sn atoms. There are one shorter (2.92 Å) and one longer (2.94 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Na, two equivalent In, and two equivalent Sn atoms.