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Title: Materials Data on Pr2Al3Ge by Materials Project

Abstract

Pr2Al3Ge is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to ten Al and two equivalent Ge atoms to form a mixture of face and edge-sharing PrAl10Ge2 cuboctahedra. There are four shorter (3.32 Å) and six longer (3.33 Å) Pr–Al bond lengths. Both Pr–Ge bond lengths are 3.32 Å. In the second Pr site, Pr is bonded to eight Al and four equivalent Ge atoms to form a mixture of face and edge-sharing PrAl8Ge4 cuboctahedra. There are two shorter (3.31 Å) and six longer (3.32 Å) Pr–Al bond lengths. All Pr–Ge bond lengths are 3.31 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to six Pr and three Al atoms. All Al–Al bond lengths are 2.52 Å. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to six Pr, one Al, and two equivalent Ge atoms. Both Al–Ge bond lengths are 2.52 Å. In the third Al site, Al is bonded in a distorted single-bond geometry to six Pr, two equivalentmore » Al, and one Ge atom. The Al–Ge bond length is 2.50 Å. Ge is bonded in a distorted trigonal planar geometry to six Pr and three Al atoms.« less

Publication Date:
Other Number(s):
mp-1219929
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Pr2Al3Ge; Al-Ge-Pr
OSTI Identifier:
1751083
DOI:
https://doi.org/10.17188/1751083

Citation Formats

The Materials Project. Materials Data on Pr2Al3Ge by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751083.
The Materials Project. Materials Data on Pr2Al3Ge by Materials Project. United States. doi:https://doi.org/10.17188/1751083
The Materials Project. 2020. "Materials Data on Pr2Al3Ge by Materials Project". United States. doi:https://doi.org/10.17188/1751083. https://www.osti.gov/servlets/purl/1751083. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1751083,
title = {Materials Data on Pr2Al3Ge by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2Al3Ge is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to ten Al and two equivalent Ge atoms to form a mixture of face and edge-sharing PrAl10Ge2 cuboctahedra. There are four shorter (3.32 Å) and six longer (3.33 Å) Pr–Al bond lengths. Both Pr–Ge bond lengths are 3.32 Å. In the second Pr site, Pr is bonded to eight Al and four equivalent Ge atoms to form a mixture of face and edge-sharing PrAl8Ge4 cuboctahedra. There are two shorter (3.31 Å) and six longer (3.32 Å) Pr–Al bond lengths. All Pr–Ge bond lengths are 3.31 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to six Pr and three Al atoms. All Al–Al bond lengths are 2.52 Å. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to six Pr, one Al, and two equivalent Ge atoms. Both Al–Ge bond lengths are 2.52 Å. In the third Al site, Al is bonded in a distorted single-bond geometry to six Pr, two equivalent Al, and one Ge atom. The Al–Ge bond length is 2.50 Å. Ge is bonded in a distorted trigonal planar geometry to six Pr and three Al atoms.},
doi = {10.17188/1751083},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}