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Title: Materials Data on Ac3Pr by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1316667· OSTI ID:1316667

Ac3Pr is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Pr atoms to form AcAc8Pr4 cuboctahedra that share corners with four equivalent PrAc12 cuboctahedra, corners with fourteen equivalent AcAc8Pr4 cuboctahedra, edges with six equivalent PrAc12 cuboctahedra, edges with twelve equivalent AcAc8Pr4 cuboctahedra, faces with four equivalent PrAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Pr4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.91–3.98 Å. There are two shorter (3.90 Å) and two longer (3.95 Å) Ac–Pr bond lengths. Pr is bonded to twelve equivalent Ac atoms to form PrAc12 cuboctahedra that share corners with six equivalent PrAc12 cuboctahedra, corners with twelve equivalent AcAc8Pr4 cuboctahedra, edges with eighteen equivalent AcAc8Pr4 cuboctahedra, faces with eight equivalent PrAc12 cuboctahedra, and faces with twelve equivalent AcAc8Pr4 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:
1316667
Report Number(s):
mp-985302
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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