Materials Data on Ce5Ge2Rh by Materials Project

Dataset · Tue Jul 14 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1266354· OSTI ID:1266354

Ce5RhGe2 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 two equivalent Rh and three equivalent Ge atoms. There are one shorter (2.80 Å) and one longer (3.03 Å) Ce–Rh bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.19–3.37 Å. In the second Ce site, Ce is bonded to one Rh and four equivalent Ge atoms to form distorted edge-sharing CeGe4Rh square pyramids. The Ce–Rh bond length is 3.13 Å. All Ce–Ge bond lengths are 3.07 Å. In the third Ce site, Ce is bonded in a 5-coordinate geometry to one Rh and four equivalent Ge atoms. The Ce–Rh bond length is 2.79 Å. There are two shorter (3.13 Å) and two longer (3.14 Å) Ce–Ge bond lengths. In the fourth Ce site, Ce is bonded in a 5-coordinate geometry to one Rh and four equivalent Ge atoms. The Ce–Rh bond length is 2.85 Å. There are two shorter (3.11 Å) and two longer (3.12 Å) Ce–Ge bond lengths. Rh 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: 1266354
• Report Number(s): mp-542005
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-Ge-Rh
Ce5Ge2Rh
crystal structure