Materials Data on Ce5Ge2Ir by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1715543· OSTI ID:1715543

Ce5IrGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to one Ir and four equivalent Ge atoms. The Ce–Ir bond length is 2.89 Å. There are two shorter (3.10 Å) and two longer (3.14 Å) Ce–Ge bond lengths. In the second Ce site, Ce is bonded to one Ir and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing CeGe4Ir trigonal bipyramids. The Ce–Ir bond length is 2.88 Å. There are two shorter (3.13 Å) and two longer (3.18 Å) Ce–Ge bond lengths. In the third Ce site, Ce is bonded to one Ir and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing CeGe4Ir square pyramids. The Ce–Ir bond length is 3.09 Å. There are two shorter (3.04 Å) and two longer (3.05 Å) Ce–Ge bond lengths. In the fourth Ce site, Ce is bonded in a 4-coordinate geometry to two equivalent Ir and three equivalent Ge atoms. There are one shorter (2.79 Å) and one longer (3.01 Å) Ce–Ir bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.18–3.57 Å. Ir is bonded in a 7-coordinate geometry to seven Ce atoms. Ge is bonded in a 9-coordinate geometry to nine Ce atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1715543
• Report Number(s): mp-1214716
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-Ge-Ir
Ce5Ge2Ir
crystal structure