Materials Data on CeZn11 by Materials Project

Abstract

CeZn11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.26–3.48 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.26–3.48 Å. There are twenty-two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–3.04 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.81 Å. In the third Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–3.05 Å. In the fourth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–3.03 Å. In the fifth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–2.90 Å. In the sixth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–3.05 Å. In the seventh Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–3.05 Å. In the eighth Zn site, Zn is bonded in a 4-coordinate geometry to two equivalent Ce and twelve Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.79–2.90 Å. In the ninth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–3.01 Å. In the tenth Zn site, Zn is bonded in a 4-coordinate geometry to two equivalent Ce and twelve Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.77–2.90 Å. In the eleventh Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.95 Å. In the twelfth Zn site, Zn is bonded in a 12-coordinate geometry to ten Zn atoms. There are two shorter (2.63 Å) and one longer (2.65 Å) Zn–Zn bond lengths. In the thirteenth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–3.04 Å. In the fourteenth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.62–2.70 Å. In the fifteenth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.68 Å. In the sixteenth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are one shorter (2.63 Å) and one longer (2.93 Å) Zn–Zn bond lengths. In the seventeenth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. The Zn–Zn bond length is 2.56 Å. In the eighteenth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.99 Å. In the nineteenth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. There are one shorter (2.61 Å) and one longer (2.63 Å) Zn–Zn bond lengths. In the twentieth Zn site, Zn is bonded in a 12-coordinate geometry to two Ce and ten Zn atoms. In the twenty-first Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms. In the twenty-second Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms.