Materials Data on Tm2FeSi4 by Materials Project
Tm2FeSi4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are a spread of Tm–Si bond distances ranging from 2.87–2.97 Å. In the second Tm3+ site, Tm3+ is bonded in a 10-coordinate geometry to ten Si2- atoms. There are a spread of Tm–Si bond distances ranging from 2.96–3.18 Å. Fe2+ is bonded in a 5-coordinate geometry to five Si2- atoms. There are two shorter (2.20 Å) and three longer (2.24 Å) Fe–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 9-coordinate geometry to six Tm3+, one Fe2+, and two equivalent Si2- atoms. Both Si–Si bond lengths are 2.55 Å. In the second Si2- site, Si2- is bonded in a 8-coordinate geometry to six Tm3+ and two equivalent Si2- atoms. In the third Si2- site, Si2- is bonded in a 2-coordinate geometry to four Tm3+ and two equivalent Fe2+ atoms. In the fourth Si2- site, Si2- is bonded in a 4-coordinate geometry to four Tm3+ and two equivalent Fe2+ atoms.