Materials Data on Ce5Ge2Pd by Materials Project

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

DOI:https://doi.org/10.17188/1715202· OSTI ID:1715202

Ce5PdGe2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Ce sites. In the first Ce site, Ce is bonded in a 7-coordinate geometry to one Ce, two Pd, and four Ge atoms. The Ce–Ce bond length is 2.72 Å. There are one shorter (3.23 Å) and one longer (3.28 Å) Ce–Pd bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.03–3.23 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to one Ce, two Pd, and four Ge atoms. The Ce–Ce bond length is 2.73 Å. There are one shorter (3.22 Å) and one longer (3.28 Å) Ce–Pd bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.04–3.22 Å. In the third Ce site, Ce is bonded in a 5-coordinate geometry to two Pd and three Ge atoms. There are one shorter (2.98 Å) and one longer (3.07 Å) Ce–Pd bond lengths. There are one shorter (3.03 Å) and two longer (3.30 Å) Ce–Ge bond lengths. In the fourth Ce site, Ce is bonded in a 5-coordinate geometry to two Pd and three Ge atoms. There are one shorter (2.98 Å) and one longer (3.06 Å) Ce–Pd bond lengths. There are one shorter (3.03 Å) and two longer (3.30 Å) Ce–Ge bond lengths. In the fifth Ce site, Ce is bonded in a 5-coordinate geometry to two Pd and three Ge atoms. Both Ce–Pd bond lengths are 2.99 Å. There are one shorter (3.14 Å) and two longer (3.28 Å) Ce–Ge bond lengths. In the sixth Ce site, Ce is bonded in a 5-coordinate geometry to two equivalent Pd and three Ge atoms. Both Ce–Pd bond lengths are 3.32 Å. There are a spread of Ce–Ge bond distances ranging from 2.97–3.14 Å. In the seventh Ce site, Ce is bonded in a 5-coordinate geometry to two equivalent Pd and three Ge atoms. Both Ce–Pd bond lengths are 3.32 Å. There are a spread of Ce–Ge bond distances ranging from 2.97–3.13 Å. In the eighth Ce site, Ce is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Ce–Ge bond distances ranging from 2.99–3.31 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to nine Ce atoms. In the second Pd site, Pd is bonded in a 9-coordinate geometry to nine Ce atoms. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine Ce atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Ce atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to nine Ce atoms. In the fourth Ge site, 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: 1715202
• Report Number(s): mp-1227601
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-Ge-Pd
Ce5Ge2Pd
crystal structure