Materials Data on Sr3In4Pb by Materials Project

Abstract

Sr3In4Pb crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 2-coordinate geometry to nine In and two equivalent Pb atoms. There are a spread of Sr–In bond distances ranging from 3.56–3.86 Å. Both Sr–Pb bond lengths are 3.55 Å. In the second Sr site, Sr is bonded in a 9-coordinate geometry to six In and three equivalent Pb atoms. There are two shorter (3.64 Å) and four longer (3.72 Å) Sr–In bond lengths. There are one shorter (3.54 Å) and two longer (3.60 Å) Sr–Pb bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 1-coordinate geometry to six Sr, three equivalent In, and one Pb atom. There are two shorter (2.96 Å) and one longer (3.15 Å) In–In bond lengths. The In–Pb bond length is 3.10 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Sr and four In atoms. The In–In bond length is 3.01 Å. Pb is bonded in a 9-coordinate geometry to seven Sr and two equivalent In atoms.