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Materials Data on PmPr3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1679920· OSTI ID:1679920
PmPr3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pm is bonded to twelve Pr atoms to form PmPr12 cuboctahedra that share corners with four equivalent PmPr12 cuboctahedra, corners with eight equivalent PrPm4Pr8 cuboctahedra, edges with eight equivalent PmPr12 cuboctahedra, edges with sixteen equivalent PrPm4Pr8 cuboctahedra, faces with four equivalent PmPr12 cuboctahedra, and faces with fourteen PrPm4Pr8 cuboctahedra. There are four shorter (3.70 Å) and eight longer (3.71 Å) Pm–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Pm and eight Pr atoms to form PrPm4Pr8 cuboctahedra that share corners with twelve equivalent PrPm4Pr8 cuboctahedra, edges with eight equivalent PmPr12 cuboctahedra, edges with sixteen PrPm4Pr8 cuboctahedra, faces with four equivalent PmPr12 cuboctahedra, and faces with fourteen PrPm4Pr8 cuboctahedra. There are four shorter (3.70 Å) and four longer (3.71 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four equivalent Pm and eight equivalent Pr atoms to form PrPm4Pr8 cuboctahedra that share corners with four equivalent PrPm4Pr8 cuboctahedra, corners with eight equivalent PmPr12 cuboctahedra, edges with twenty-four PrPm4Pr8 cuboctahedra, faces with six equivalent PmPr12 cuboctahedra, and faces with twelve PrPm4Pr8 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:
1679920
Report Number(s):
mp-1186635
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Pm-Pr
PmPr3
crystal structure