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Title: Materials Data on TiSiPd by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313386· OSTI ID:1313386

PdTiSi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti2+ is bonded to four equivalent Pd2+ and six equivalent Si4- atoms to form a mixture of distorted corner and face-sharing TiSi6Pd4 tetrahedra. All Ti–Pd bond lengths are 2.55 Å. All Ti–Si bond lengths are 2.94 Å. Pd2+ is bonded in a body-centered cubic geometry to four equivalent Ti2+ and four equivalent Si4- atoms. All Pd–Si bond lengths are 2.55 Å. Si4- is bonded in a 4-coordinate geometry to six equivalent Ti2+ and four equivalent Pd2+ 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:
1313386
Report Number(s):
mp-961659
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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