Materials Data on Ce3NiGe2 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1742732· OSTI ID:1742732

Ce3NiGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to one Ni and five Ge atoms. The Ce–Ni bond length is 2.94 Å. There are a spread of Ce–Ge bond distances ranging from 3.03–3.26 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to two equivalent Ni and five Ge atoms. Both Ce–Ni bond lengths are 2.90 Å. There are a spread of Ce–Ge bond distances ranging from 3.07–3.58 Å. In the third Ce site, Ce is bonded in a 8-coordinate geometry to three equivalent Ni and five Ge atoms. There are two shorter (3.02 Å) and one longer (3.03 Å) Ce–Ni bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.03–3.11 Å. Ni is bonded in a 9-coordinate geometry to six Ce and three Ge atoms. There are one shorter (2.51 Å) and two longer (2.52 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Ce and one Ni atom. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Ce and two equivalent Ni 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: 1742732
• Report Number(s): mp-1191014
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-Ge-Ni
Ce3NiGe2
crystal structure