Materials Data on Bi14Mo5 by Materials Project

Abstract

Mo5Bi14 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Mo5Bi14 ribbons oriented in the (0, 1, 0) direction. there are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a body-centered cubic geometry to eight Bi atoms. There are a spread of Mo–Bi bond distances ranging from 2.92–3.01 Å. In the second Mo site, Mo is bonded in a body-centered cubic geometry to eight Bi atoms. There are a spread of Mo–Bi bond distances ranging from 2.84–3.04 Å. In the third Mo site, Mo is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Mo–Bi bond distances ranging from 2.85–3.15 Å. There are seven inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four Mo atoms. In the second Bi site, Bi is bonded in a 1-coordinate geometry to one Mo atom. In the third Bi site, Bi is bonded in a 3-coordinate geometry to three Mo atoms. In the fourth Bi site, Bi is bonded in a 4-coordinate geometry to four Mo atoms. In the fifth Bi site, Bi is bonded in a 9-coordinate geometry to four Mo atoms. In the sixth Bi site, Bi is bonded in a 1-coordinate geometry to three Mo atoms. In the seventh Bi site, Bi is bonded in a distorted single-bond geometry to one Mo atom.