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Title: Materials Data on Ti3Cu by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1187766· OSTI ID:1187766

CuTi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Cu atoms to form TiTi8Cu4 cuboctahedra that share corners with twelve equivalent TiTi8Cu4 cuboctahedra, edges with eight equivalent CuTi12 cuboctahedra, edges with sixteen equivalent TiTi8Cu4 cuboctahedra, faces with four equivalent CuTi12 cuboctahedra, and faces with fourteen equivalent TiTi8Cu4 cuboctahedra. All Ti–Ti bond lengths are 2.81 Å. All Ti–Cu bond lengths are 2.81 Å. Cu is bonded to twelve equivalent Ti atoms to form CuTi12 cuboctahedra that share corners with twelve equivalent CuTi12 cuboctahedra, edges with twenty-four equivalent TiTi8Cu4 cuboctahedra, faces with six equivalent CuTi12 cuboctahedra, and faces with twelve equivalent TiTi8Cu4 cuboctahedra.

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:
1187766
Report Number(s):
mp-11365
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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