Materials Data on ReSi4Mo by Materials Project

Abstract

MoReSi4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mo5+ is bonded in a distorted q6 geometry to ten Si2- atoms. All Mo–Si bond lengths are 2.62 Å. Re3+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are eight shorter (2.62 Å) and two longer (2.63 Å) Re–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 10-coordinate geometry to four equivalent Mo5+, one Re3+, and five Si2- atoms. There are one shorter (2.61 Å) and four longer (2.62 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a 10-coordinate geometry to one Mo5+, four equivalent Re3+, and five Si2- atoms. The Si–Si bond length is 2.63 Å.