skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ba3Pr by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1749590· OSTI ID:1749590

Ba3Pr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Pr atoms to form distorted BaBa8Pr4 cuboctahedra that share corners with four equivalent PrBa12 cuboctahedra, corners with fourteen equivalent BaBa8Pr4 cuboctahedra, edges with six equivalent PrBa12 cuboctahedra, edges with twelve equivalent BaBa8Pr4 cuboctahedra, faces with four equivalent PrBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Pr4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.13–4.42 Å. There are two shorter (4.13 Å) and two longer (4.27 Å) Ba–Pr bond lengths. Pr is bonded to twelve equivalent Ba atoms to form PrBa12 cuboctahedra that share corners with six equivalent PrBa12 cuboctahedra, corners with twelve equivalent BaBa8Pr4 cuboctahedra, edges with eighteen equivalent BaBa8Pr4 cuboctahedra, faces with eight equivalent PrBa12 cuboctahedra, and faces with twelve equivalent BaBa8Pr4 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:
1749590
Report Number(s):
mp-1183368
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on Rb3Pr by Materials Project
Dataset · Fri May 01 00:00:00 EDT 2020 · OSTI ID:1749590

Materials Data on Ba3Pm by Materials Project
Dataset · Sun May 03 00:00:00 EDT 2020 · OSTI ID:1749590

Materials Data on Ba3Nd by Materials Project
Dataset · Tue May 05 00:00:00 EDT 2020 · OSTI ID:1749590