Materials Data on CeUZn17 by Materials Project

Abstract

UCeZn17 crystallizes in the trigonal R3m space group. The structure is three-dimensional. U is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of U–Zn bond distances ranging from 3.10–3.49 Å. Ce is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.13–3.47 Å. There are six inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to one U, one Ce, and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–3.00 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent U, one Ce, and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.85 Å. In the third Zn site, Zn is bonded to one U, two equivalent Ce, and nine Zn atoms to form distorted ZnCe2UZn9 cuboctahedra that share corners with seven ZnCe2UZn9 cuboctahedra, edges with seven ZnCeUZn10 cuboctahedra, and faces with seven ZnCe2UZn9 cuboctahedra. There are two shorter (2.64 Å) and one longer (2.88 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded to one U, one Ce, and ten Zn atoms to form distorted ZnCeUZn10 cuboctahedra that share corners with nine ZnCeUZn10 cuboctahedra, edges with three equivalent ZnCe2UZn9 cuboctahedra, and faces with seven ZnCe2UZn9 cuboctahedra. There are one shorter (2.72 Å) and one longer (2.75 Å) Zn–Zn bond lengths. In the fifth Zn site, Zn is bonded in a 1-coordinate geometry to one Ce and thirteen Zn atoms. The Zn–Zn bond length is 2.70 Å. In the sixth Zn site, Zn is bonded in a 8-coordinate geometry to one U and thirteen Zn atoms.