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Title: Materials Data on SiPd3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1195757· OSTI ID:1195757

Pd3Si is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a bent 120 degrees geometry to two equivalent Si atoms. There are one shorter (2.38 Å) and one longer (2.40 Å) Pd–Si bond lengths. In the second Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.38–2.60 Å. Si is bonded in a 8-coordinate geometry to eight 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:
1195757
Report Number(s):
mp-20622
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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