Materials Data on MgBi by Materials Project

Abstract

MgBi crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Mg–Bi bond distances ranging from 2.95–3.19 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to five Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.12–3.23 Å. In the third Mg site, Mg is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.36–3.49 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four Mg atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six Mg atoms. In the third Bi site, Bi is bonded in a 10-coordinate geometry to five Mg atoms.