Materials Data on KPr3Te8 by Materials Project

Abstract

KPr3Te8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of K–Te bond distances ranging from 3.63–3.85 Å. There are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Pr–Te bond distances ranging from 3.24–3.35 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Pr–Te bond distances ranging from 3.25–3.37 Å. In the third Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine Te+1.25- atoms. There are a spread of Pr–Te bond distances ranging from 3.26–3.45 Å. There are eight inequivalent Te+1.25- sites. In the first Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to one K1+, two Pr3+, and four Te+1.25- atoms. There are a spread of Te–Te bond distances ranging from 3.02–3.29 Å. In the second Te+1.25- site, Te+1.25- is bonded in a 6-coordinate geometry to two equivalent K1+, two Pr3+, and two equivalent Te+1.25- atoms. In the third Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Pr3+ atoms. In the fourth Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Pr3+ atoms. In the fifth Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to two equivalent K1+, two Pr3+, and three Te+1.25- atoms. There are one shorter (2.90 Å) and one longer (3.44 Å) Te–Te bond lengths. In the sixth Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Pr3+ atoms. In the seventh Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to one K1+, two equivalent Pr3+, and four Te+1.25- atoms. There are one shorter (2.90 Å) and one longer (3.43 Å) Te–Te bond lengths. In the eighth Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to two equivalent K1+, two Pr3+, and three Te+1.25- atoms.