DOE OSTI2020
Rb7(FeTe2)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.69–3.98 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.69–4.33 Å. In the third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.65–4.16 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.70–4.17 Å. There are two inequivalent Fe+2.25+ sites. In the first Fe+2.25+ site, Fe+2.25+ is bonded to four Te2- atoms to form edge-sharing FeTe4 tetrahedra. There are a spread of Fe–Te bond distances ranging from 2.59–2.63 Å. In the second Fe+2.25+ site, Fe+2.25+ is bonded to four Te2- atoms to form edge-sharing FeTe4 tetrahedra. There are a spread of Fe–Te bond distances ranging from 2.59–2.63 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to five Rb1+ and three Fe+2.25+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to five Rb1+ and three Fe+2.25+ atoms. In the third Te2- site, Te2- is bonded in a 8-coordinate geometry to seven Rb1+ and one Fe+2.25+ atom. In the fourth Te2- site, Te2- is bonded in a distorted body-centered cubic geometry to seven Rb1+ and one Fe+2.25+ atom.