Materials Data on KFeTc2 by Materials Project
KTc2Fe crystallizes in the cubic F-43m space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to ten Tc2- and four equivalent Fe3+ atoms. There are four shorter (2.74 Å) and six longer (3.16 Å) K–Tc bond lengths. All K–Fe bond lengths are 2.74 Å. There are two inequivalent Tc2- sites. In the first Tc2- site, Tc2- is bonded to four equivalent K1+ and four equivalent Tc2- atoms to form distorted edge-sharing TcK4Tc4 tetrahedra. All Tc–Tc bond lengths are 2.74 Å. In the second Tc2- site, Tc2- is bonded in a 4-coordinate geometry to six equivalent K1+, four equivalent Tc2-, and four equivalent Fe3+ atoms. All Tc–Fe bond lengths are 2.74 Å. Fe3+ is bonded in a distorted body-centered cubic geometry to four equivalent K1+ and four equivalent Tc2- atoms.