Materials Data on Pr2Te5 by Materials Project
Pr2Te5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Pr2Te5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Pr4+ sites. In the first Pr4+ site, Pr4+ is bonded in a 9-coordinate geometry to nine Te+1.60- atoms. There are a spread of Pr–Te bond distances ranging from 3.31–3.38 Å. In the second Pr4+ site, Pr4+ is bonded in a 9-coordinate geometry to nine Te+1.60- atoms. There are a spread of Pr–Te bond distances ranging from 3.29–3.40 Å. There are five inequivalent Te+1.60- sites. In the first Te+1.60- site, Te+1.60- is bonded in a 6-coordinate geometry to two equivalent Pr4+ and four equivalent Te+1.60- atoms. All Te–Te bond lengths are 3.16 Å. In the second Te+1.60- site, Te+1.60- is bonded in a 6-coordinate geometry to two equivalent Pr4+ and four equivalent Te+1.60- atoms. In the third Te+1.60- site, Te+1.60- is bonded in a 8-coordinate geometry to four equivalent Pr4+ and four equivalent Te+1.60- atoms. All Te–Te bond lengths are 3.16 Å. In the fourth Te+1.60- site, Te+1.60- is bonded in a 5-coordinate geometry to five Pr4+ atoms. In the fifth Te+1.60- site, Te+1.60- is bonded in a 5-coordinate geometry to five Pr4+ atoms.