Materials Data on Sr11Bi10 by Materials Project

Abstract

Sr11Bi10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded to seven Bi atoms to form a mixture of distorted face, edge, and corner-sharing SrBi7 pentagonal bipyramids. There are a spread of Sr–Bi bond distances ranging from 3.43–3.87 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.23–3.99 Å. In the third Sr site, Sr is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.80–3.95 Å. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.43–3.74 Å. There are five inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Sr atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Sr atoms. In the third Bi site, Bi is bonded in a 11-coordinate geometry to seven Sr and four Bi atoms. There are two shorter (3.32 Å) and two longer (3.53 Å) Bi–Bi bond lengths. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to eight Sr atoms. In the fifth Bi site, Bi is bonded in a 10-coordinate geometry to eight Sr and two Bi atoms. The Bi–Bi bond length is 3.27 Å.