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Title: Materials Data on TiNiSn by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1198972· OSTI ID:1198972

TiNiSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Ni and four equivalent Sn atoms. All Ti–Ni bond lengths are 2.67 Å. All Ti–Sn bond lengths are 2.67 Å. Ni is bonded to four equivalent Ti atoms to form distorted NiTi4 tetrahedra that share corners with four equivalent SnTi4 tetrahedra, corners with twelve equivalent NiTi4 tetrahedra, and edges with six equivalent SnTi4 tetrahedra. Sn is bonded to four equivalent Ti atoms to form distorted SnTi4 tetrahedra that share corners with four equivalent NiTi4 tetrahedra, corners with twelve equivalent SnTi4 tetrahedra, and edges with six equivalent NiTi4 tetrahedra.

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:
1198972
Report Number(s):
mp-22782
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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