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Title: Materials Data on TiRu3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1317433· OSTI ID:1317433

TiRu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Ru atoms to form TiRu12 cuboctahedra that share corners with twelve equivalent TiRu12 cuboctahedra, edges with twenty-four equivalent RuTi4Ru8 cuboctahedra, faces with six equivalent TiRu12 cuboctahedra, and faces with twelve equivalent RuTi4Ru8 cuboctahedra. All Ti–Ru bond lengths are 2.73 Å. Ru is bonded to four equivalent Ti and eight equivalent Ru atoms to form distorted RuTi4Ru8 cuboctahedra that share corners with twelve equivalent RuTi4Ru8 cuboctahedra, edges with eight equivalent TiRu12 cuboctahedra, edges with sixteen equivalent RuTi4Ru8 cuboctahedra, faces with four equivalent TiRu12 cuboctahedra, and faces with fourteen equivalent RuTi4Ru8 cuboctahedra. All Ru–Ru bond lengths are 2.73 Å.

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:
1317433
Report Number(s):
mp-998947
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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