Materials Data on ReSi4W by Materials Project

Abstract

WReSi4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. W5+ is bonded in a distorted q6 geometry to ten Si2- atoms. All W–Si bond lengths are 2.62 Å. Re3+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are two shorter (2.61 Å) and eight longer (2.62 Å) Re–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 1-coordinate geometry to one W5+, four equivalent Re3+, and five Si2- atoms. All Si–Si bond lengths are 2.62 Å. In the second Si2- site, Si2- is bonded in a 10-coordinate geometry to four equivalent W5+, one Re3+, and five Si2- atoms. The Si–Si bond length is 2.63 Å.