Materials Data on Rb2SnTe5 by Materials Project
Rb2SnTe5 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Te+0.80- atoms. There are four shorter (3.74 Å) and four longer (3.76 Å) Rb–Te bond lengths. In the second Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight Te+0.80- atoms. There are four shorter (3.93 Å) and four longer (3.95 Å) Rb–Te bond lengths. Sn2+ is bonded in a tetrahedral geometry to four Te+0.80- atoms. All Sn–Te bond lengths are 2.82 Å. There are three inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a 6-coordinate geometry to four Rb1+, one Sn2+, and one Te+0.80- atom. The Te–Te bond length is 3.06 Å. In the second Te+0.80- site, Te+0.80- is bonded in a 6-coordinate geometry to four Rb1+, one Sn2+, and one Te+0.80- atom. The Te–Te bond length is 3.07 Å. In the third Te+0.80- site, Te+0.80- is bonded in a square co-planar geometry to four Te+0.80- atoms.