Materials Data on Pr2Al3Ge4 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1682131· OSTI ID:1682131

Pr2Al3Ge4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to two equivalent Al and eight Ge atoms. Both Pr–Al bond lengths are 3.27 Å. There are a spread of Pr–Ge bond distances ranging from 3.14–3.26 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six Ge atoms to form distorted corner-sharing AlGe6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are four shorter (2.63 Å) and two longer (2.83 Å) Al–Ge bond lengths. In the second Al site, Al is bonded in a 5-coordinate geometry to two equivalent Pr and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.55–2.90 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to four equivalent Pr and three Al atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr and five Al 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: 1682131
• Report Number(s): mp-1189097
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Ge-Pr
Pr2Al3Ge4
crystal structure