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Materials Data on AcPr3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1734146· OSTI ID:1734146
AcPr3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ac is bonded to twelve Pr atoms to form AcPr12 cuboctahedra that share corners with four equivalent AcPr12 cuboctahedra, corners with eight equivalent PrAc4Pr8 cuboctahedra, edges with eight equivalent AcPr12 cuboctahedra, edges with sixteen equivalent PrAc4Pr8 cuboctahedra, faces with four equivalent AcPr12 cuboctahedra, and faces with fourteen PrAc4Pr8 cuboctahedra. There are four shorter (3.77 Å) and eight longer (3.78 Å) Ac–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Ac and eight Pr atoms to form PrAc4Pr8 cuboctahedra that share corners with twelve equivalent PrAc4Pr8 cuboctahedra, edges with eight equivalent AcPr12 cuboctahedra, edges with sixteen PrAc4Pr8 cuboctahedra, faces with four equivalent AcPr12 cuboctahedra, and faces with fourteen PrAc4Pr8 cuboctahedra. There are four shorter (3.77 Å) and four longer (3.78 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four equivalent Ac and eight equivalent Pr atoms to form PrAc4Pr8 cuboctahedra that share corners with four equivalent PrAc4Pr8 cuboctahedra, corners with eight equivalent AcPr12 cuboctahedra, edges with twenty-four PrAc4Pr8 cuboctahedra, faces with six equivalent AcPr12 cuboctahedra, and faces with twelve PrAc4Pr8 cuboctahedra.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1734146
Report Number(s):
mp-1183239
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Ac-Pr
AcPr3
crystal structure