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Materials Data on Pr3Ho by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1758186· OSTI ID:1758186
HoPr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve Pr atoms to form HoPr12 cuboctahedra that share corners with four equivalent HoPr12 cuboctahedra, corners with eight equivalent PrPr8Ho4 cuboctahedra, edges with eight equivalent HoPr12 cuboctahedra, edges with sixteen equivalent PrPr8Ho4 cuboctahedra, faces with four equivalent HoPr12 cuboctahedra, and faces with fourteen PrPr8Ho4 cuboctahedra. There are four shorter (3.67 Å) and eight longer (3.68 Å) Ho–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Ho and eight Pr atoms to form PrPr8Ho4 cuboctahedra that share corners with twelve equivalent PrPr8Ho4 cuboctahedra, edges with eight equivalent HoPr12 cuboctahedra, edges with sixteen PrPr8Ho4 cuboctahedra, faces with four equivalent HoPr12 cuboctahedra, and faces with fourteen PrPr8Ho4 cuboctahedra. There are four shorter (3.67 Å) and four longer (3.68 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four equivalent Ho and eight equivalent Pr atoms to form PrPr8Ho4 cuboctahedra that share corners with four equivalent PrPr8Ho4 cuboctahedra, corners with eight equivalent HoPr12 cuboctahedra, edges with twenty-four PrPr8Ho4 cuboctahedra, faces with six equivalent HoPr12 cuboctahedra, and faces with twelve PrPr8Ho4 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:
1758186
Report Number(s):
mp-1186719
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Ho-Pr
Pr3Ho
crystal structure