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Title: Materials Data on CePd5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1197432· OSTI ID:1197432

CePd5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a distorted hexagonal planar geometry to eighteen Pd atoms. There are six shorter (3.08 Å) and twelve longer (3.50 Å) Ce–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Ce and eight Pd atoms to form a mixture of corner, edge, and face-sharing PdCe4Pd8 cuboctahedra. There are four shorter (2.67 Å) and four longer (2.74 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent Ce and six equivalent Pd atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1197432
Report Number(s):
mp-22217
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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