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Title: Materials Data on CuAu3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1196273· OSTI ID:1196273

Au3Cu is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au+0.33- is bonded to eight equivalent Au+0.33- and four equivalent Cu1+ atoms to form distorted AuCu4Au8 cuboctahedra that share corners with twelve equivalent AuCu4Au8 cuboctahedra, edges with eight equivalent CuAu12 cuboctahedra, edges with sixteen equivalent AuCu4Au8 cuboctahedra, faces with four equivalent CuAu12 cuboctahedra, and faces with fourteen equivalent AuCu4Au8 cuboctahedra. All Au–Au bond lengths are 2.87 Å. All Au–Cu bond lengths are 2.87 Å. Cu1+ is bonded to twelve equivalent Au+0.33- atoms to form CuAu12 cuboctahedra that share corners with twelve equivalent CuAu12 cuboctahedra, edges with twenty-four equivalent AuCu4Au8 cuboctahedra, faces with six equivalent CuAu12 cuboctahedra, and faces with twelve equivalent AuCu4Au8 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:
1196273
Report Number(s):
mp-2103
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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