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Title: Materials Data on HfGaPd by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1195498· OSTI ID:1195498

HfPdGa crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to five Pd and six equivalent Ga atoms. There are a spread of Hf–Pd bond distances ranging from 2.78–2.87 Å. There are a spread of Hf–Ga bond distances ranging from 2.97–3.14 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ga atoms. All Pd–Ga bond lengths are 2.67 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ga atoms. All Pd–Ga bond lengths are 2.60 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Hf and four 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:
1195498
Report Number(s):
mp-20381
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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