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Title: Materials Data on Ti3Pd5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1275578· OSTI ID:1275578

Pd5Ti3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Ti–Pd bond distances ranging from 2.64–2.82 Å. In the second Ti site, Ti is bonded in a 10-coordinate geometry to ten Pd atoms. There are eight shorter (2.72 Å) and two longer (2.97 Å) Ti–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to five Ti atoms. In the second Pd site, Pd is bonded in a 10-coordinate geometry to five Ti atoms. In the third Pd site, Pd is bonded in a distorted body-centered cubic geometry to eight equivalent Ti 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:
1275578
Report Number(s):
mp-570199
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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