Materials Data on SrCa(Ni2Sn)4 by Materials Project

Abstract

SrCa(Ni2Sn)4 crystallizes in the tetragonal I422 space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight equivalent Ni and eight Sn atoms. All Sr–Ni bond lengths are 3.11 Å. All Sr–Sn bond lengths are 3.53 Å. Ca is bonded in a 8-coordinate geometry to eight equivalent Ni and eight Sn atoms. All Ca–Ni bond lengths are 3.08 Å. All Ca–Sn bond lengths are 3.53 Å. Ni is bonded in a 10-coordinate geometry to one Sr, one Ca, four equivalent Ni, and four Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.52–2.83 Å. There are a spread of Ni–Sn bond distances ranging from 2.58–2.66 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to two equivalent Sr, two equivalent Ca, and eight equivalent Ni atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to two equivalent Sr, two equivalent Ca, and eight equivalent Ni atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to two equivalent Sr, two equivalent Ca, and eight equivalent Ni atoms.