Materials Data on Pr(Mg4Al3)4 by Materials Project
Pr(Mg4Al3)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Pr, and six equivalent Al atoms. All Mg–Mg bond lengths are 3.02 Å. The Mg–Pr bond length is 3.33 Å. All Mg–Al bond lengths are 3.22 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are two shorter (3.11 Å) and four longer (3.18 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.85–3.18 Å. Pr is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Pr–Al bond lengths are 3.27 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Pr, and three equivalent Al atoms. There are one shorter (2.76 Å) and two longer (2.80 Å) Al–Al bond lengths.
- 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:
- 1721011
- Report Number(s):
- mp-1186688
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Pr(Mg4Al3)4 by Materials Project
Materials Data on La(Mg4Al3)4 by Materials Project
Materials Data on Eu(Mg4Al3)4 by Materials Project
Dataset
·
Thu Jan 10 23:00:00 EST 2019
·
OSTI ID:1673970
Materials Data on La(Mg4Al3)4 by Materials Project
Dataset
·
Wed Apr 29 00:00:00 EDT 2020
·
OSTI ID:1313968
Materials Data on Eu(Mg4Al3)4 by Materials Project
Dataset
·
Thu Sep 03 00:00:00 EDT 2020
·
OSTI ID:1757006