Materials Data on Na2SrSn4 by Materials Project

Abstract

Na2SrSn4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na is bonded in a 5-coordinate geometry to six Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.21–3.66 Å. Sr is bonded to twelve Sn atoms to form a mixture of distorted edge and face-sharing SrSn12 cuboctahedra. There are a spread of Sr–Sn bond distances ranging from 3.57–3.82 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to two equivalent Na, four equivalent Sr, and three Sn atoms. There are two shorter (2.99 Å) and one longer (3.00 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 10-coordinate geometry to four equivalent Na, two equivalent Sr, and four Sn atoms. Both Sn–Sn bond lengths are 3.34 Å.