Materials Data on Ce5GeBi2 by Materials Project

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

DOI:https://doi.org/10.17188/1679231· OSTI ID:1679231

Ce5GeBi2 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 Ge and three equivalent Bi atoms. There are one shorter (3.02 Å) and one longer (3.17 Å) Ce–Ge bond lengths. There are a spread of Ce–Bi bond distances ranging from 3.43–3.48 Å. In the second Ce site, Ce is bonded to one Ge and four equivalent Bi atoms to form a mixture of distorted corner and edge-sharing CeGeBi4 square pyramids. The Ce–Ge bond length is 3.13 Å. There are two shorter (3.27 Å) and two longer (3.29 Å) Ce–Bi bond lengths. In the third Ce site, Ce is bonded in a 6-coordinate geometry to two equivalent Ge and four equivalent Bi atoms. There are one shorter (3.08 Å) and one longer (3.58 Å) Ce–Ge bond lengths. There are two shorter (3.27 Å) and two longer (3.30 Å) Ce–Bi bond lengths. In the fourth Ce site, Ce is bonded to one Ge and four equivalent Bi atoms to form a mixture of distorted corner and edge-sharing CeGeBi4 trigonal bipyramids. The Ce–Ge bond length is 3.00 Å. There are two shorter (3.28 Å) and two longer (3.31 Å) Ce–Bi bond lengths. Ge is bonded in a 8-coordinate geometry to eight Ce atoms. Bi 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: 1679231
• Report Number(s): mp-1199773
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Bi-Ce-Ge
Ce5GeBi2
crystal structure