Materials Data on Sr4In13Au9 by Materials Project
Sr4Au9In13 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to six Au and six In atoms. There are two shorter (3.48 Å) and four longer (3.58 Å) Sr–Au bond lengths. There are two shorter (3.63 Å) and four longer (3.64 Å) Sr–In bond lengths. In the second Sr site, Sr is bonded in a 12-coordinate geometry to six equivalent Au atoms. All Sr–Au bond lengths are 3.49 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to four equivalent Sr and five In atoms. There are a spread of Au–In bond distances ranging from 2.70–2.86 Å. In the second Au site, Au is bonded in a 8-coordinate geometry to two equivalent Sr and six In atoms. There are two shorter (2.86 Å) and four longer (2.96 Å) Au–In bond lengths. In the third Au site, Au is bonded in a 9-coordinate geometry to two equivalent Sr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.85–2.95 Å. There are four inequivalent In sites. In the first In site, In is bonded to two equivalent Sr and four Au atoms to form a mixture of distorted face, edge, and corner-sharing InSr2Au4 tetrahedra. In the second In site, In is bonded in a 5-coordinate geometry to five Au atoms. In the third In site, In is bonded to four Au atoms to form a mixture of edge and corner-sharing InAu4 tetrahedra. In the fourth In site, In is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Au atoms.