Materials Data on Cr5Si3 by Materials Project
Cr5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cr+2.40+ sites. In the first Cr+2.40+ site, Cr+2.40+ is bonded in a distorted hexagonal planar geometry to two equivalent Cr+2.40+ and four equivalent Si4- atoms. Both Cr–Cr bond lengths are 2.29 Å. All Cr–Si bond lengths are 2.43 Å. In the second Cr+2.40+ site, Cr+2.40+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Cr–Si bond distances ranging from 2.39–2.62 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to eight equivalent Cr+2.40+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.29 Å. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to ten Cr+2.40+ atoms.