Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

Materials Data on Pr2Fe14B by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1283808· OSTI ID:1283808

Pr2Fe14B is beta Plutonium-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to fourteen Fe atoms. There are a spread of Pr–Fe bond distances ranging from 2.99–3.25 Å. In the second Pr site, Pr is bonded in a 7-coordinate geometry to fourteen Fe and one B atom. There are a spread of Pr–Fe bond distances ranging from 2.57–3.26 Å. The Pr–B bond length is 2.68 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two Pr and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.47–2.73 Å. In the second Fe site, Fe is bonded in a 11-coordinate geometry to two Pr and twelve Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.50–3.06 Å. In the third Fe site, Fe is bonded in a distorted single-bond geometry to two Pr, seven Fe, and one B atom. There are one shorter (2.35 Å) and one longer (2.52 Å) Fe–Fe bond lengths. The Fe–B bond length is 2.11 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to four Pr and five Fe atoms. There are two shorter (2.21 Å) and one longer (2.55 Å) Fe–Fe bond lengths. In the fifth Fe site, Fe is bonded to four Pr and eight Fe atoms to form corner-sharing FePr4Fe8 cuboctahedra. In the sixth Fe site, Fe is bonded in a 9-coordinate geometry to nine Fe atoms. The Fe–Fe bond length is 2.54 Å. B is bonded in a 5-coordinate geometry to one Pr and four equivalent Fe atoms.

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:
1283808
Report Number(s):
mp-683944
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on Nd2Fe14B by Materials Project
Dataset · Mon Aug 03 00:00:00 EDT 2020 · OSTI ID:1277904
Materials Data on Pr2Fe6Co8B by Materials Project
Dataset · Thu Jun 04 00:00:00 EDT 2020 · OSTI ID:1699301
Materials Data on PrNdFe14B by Materials Project
Dataset · Thu Jun 04 00:00:00 EDT 2020 · OSTI ID:1678128

Related Subjects

36 MATERIALS SCIENCE
B-Fe-Pr
Pr2Fe14B
crystal structure