Materials Data on InSn4 by Materials Project

Abstract

InSn4 is Hg_xSn-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. In is bonded to four equivalent In and four Sn atoms to form InIn4Sn4 hexagonal bipyramids that share corners with four equivalent InIn4Sn4 hexagonal bipyramids, corners with four SnSn8 hexagonal bipyramids, edges with six equivalent InIn4Sn4 hexagonal bipyramids, and edges with eighteen SnIn2Sn6 hexagonal bipyramids. There are two shorter (3.05 Å) and two longer (3.19 Å) In–In bond lengths. All In–Sn bond lengths are 3.32 Å. There are seven inequivalent Sn sites. In the first Sn site, Sn is bonded to two equivalent In and six Sn atoms to form SnIn2Sn6 hexagonal bipyramids that share corners with eight SnIn2Sn6 hexagonal bipyramids, edges with eight equivalent InIn4Sn4 hexagonal bipyramids, and edges with sixteen SnIn2Sn6 hexagonal bipyramids. There are a spread of Sn–Sn bond distances ranging from 3.05–3.30 Å. In the second Sn site, Sn is bonded to eight Sn atoms to form SnSn8 hexagonal bipyramids that share corners with two equivalent InIn4Sn4 hexagonal bipyramids, corners with six SnSn8 hexagonal bipyramids, an edgeedge with one InIn4Sn4 hexagonal bipyramid, and edges with twenty-three SnIn2Sn6 hexagonal bipyramids. There are a spread of Sn–Sn bond distances ranging from 3.05–3.31 Å. In the third Sn site, Sn is bonded to eight Sn atoms to form SnSn8 hexagonal bipyramids that share corners with two equivalent InIn4Sn4 hexagonal bipyramids, corners with six SnIn2Sn6 hexagonal bipyramids, an edgeedge with one InIn4Sn4 hexagonal bipyramid, and edges with twenty-three SnIn2Sn6 hexagonal bipyramids. There are a spread of Sn–Sn bond distances ranging from 3.05–3.30 Å. In the fourth Sn site, Sn is bonded to two equivalent In and six Sn atoms to form SnIn2Sn6 hexagonal bipyramids that share corners with eight SnSn8 hexagonal bipyramids, edges with eight equivalent InIn4Sn4 hexagonal bipyramids, and edges with sixteen SnSn8 hexagonal bipyramids. Both Sn–In bond lengths are 3.32 Å. There are two shorter (3.05 Å) and two longer (3.19 Å) Sn–Sn bond lengths. In the fifth Sn site, Sn is bonded to two equivalent In and six Sn atoms to form SnIn2Sn6 hexagonal bipyramids that share corners with eight SnIn2Sn6 hexagonal bipyramids, edges with eight equivalent InIn4Sn4 hexagonal bipyramids, and edges with sixteen SnIn2Sn6 hexagonal bipyramids. Both Sn–In bond lengths are 3.32 Å. There are a spread of Sn–Sn bond distances ranging from 3.05–3.30 Å. In the sixth Sn site, Sn is bonded to eight Sn atoms to form SnSn8 hexagonal bipyramids that share corners with two equivalent InIn4Sn4 hexagonal bipyramids, corners with six SnIn2Sn6 hexagonal bipyramids, an edgeedge with one InIn4Sn4 hexagonal bipyramid, and edges with twenty-three SnIn2Sn6 hexagonal bipyramids. There are a spread of Sn–Sn bond distances ranging from 3.05–3.31 Å. In the seventh Sn site, Sn is bonded to two equivalent In and six Sn atoms to form SnIn2Sn6 hexagonal bipyramids that share corners with eight SnIn2Sn6 hexagonal bipyramids, edges with eight equivalent InIn4Sn4 hexagonal bipyramids, and edges with sixteen SnIn2Sn6 hexagonal bipyramids. There are a spread of Sn–Sn bond distances ranging from 3.05–3.30 Å.