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Title: Materials Data on TiIr3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1187430· OSTI ID:1187430

Ir3Ti is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Ir atoms to form TiIr12 cuboctahedra that share corners with twelve equivalent TiIr12 cuboctahedra, edges with twenty-four equivalent IrTi4Ir8 cuboctahedra, faces with six equivalent TiIr12 cuboctahedra, and faces with twelve equivalent IrTi4Ir8 cuboctahedra. All Ti–Ir bond lengths are 2.74 Å. Ir is bonded to four equivalent Ti and eight equivalent Ir atoms to form distorted IrTi4Ir8 cuboctahedra that share corners with twelve equivalent IrTi4Ir8 cuboctahedra, edges with eight equivalent TiIr12 cuboctahedra, edges with sixteen equivalent IrTi4Ir8 cuboctahedra, faces with four equivalent TiIr12 cuboctahedra, and faces with fourteen equivalent IrTi4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.74 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:
1187430
Report Number(s):
mp-1089
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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