Materials Data on Tb2FeSi4 by Materials Project
Tb2FeSi4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 11-coordinate geometry to eleven Si2- atoms. There are a spread of Tb–Si bond distances ranging from 3.06–3.18 Å. In the second Tb3+ site, Tb3+ is bonded in a 11-coordinate geometry to eleven Si2- atoms. There are a spread of Tb–Si bond distances ranging from 3.07–3.16 Å. Fe2+ is bonded to four Si2- atoms to form distorted corner-sharing FeSi4 trigonal pyramids. There are two shorter (2.19 Å) and two longer (2.22 Å) Fe–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 2-coordinate geometry to five Tb3+, two equivalent Fe2+, and one Si2- atom. The Si–Si bond length is 2.47 Å. In the second Si2- site, Si2- is bonded in a 2-coordinate geometry to five Tb3+, two equivalent Fe2+, and one Si2- atom. The Si–Si bond length is 2.44 Å. In the third Si2- site, Si2- is bonded in a 9-coordinate geometry to six Tb3+ and three Si2- atoms. Both Si–Si bond lengths are 2.39 Å. In the fourth Si2- site, Si2- is bonded in a 9-coordinate geometry to six Tb3+ and three Si2- atoms.