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Title: Materials Data on Pr2AlGe6 by Materials Project

Abstract

Pr2AlGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to two equivalent Al and ten Ge atoms. There are one shorter (3.39 Å) and one longer (3.41 Å) Pr–Al bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.16–3.41 Å. Al is bonded in a 5-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.56–2.67 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Pr, one Al, and two Ge atoms. There are one shorter (2.58 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Pr and two Ge atoms. The Ge–Ge bond length is 2.64 Å. In the third Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Pr, one Al, and three Ge atoms. There are one shorter (2.51 Å) and two longer (2.59 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalentmore » Pr, one Al, and three Ge atoms. The Ge–Ge bond length is 2.51 Å. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Pr, one Al, and three Ge atoms. The Ge–Ge bond length is 2.52 Å.« less

Publication Date:
Other Number(s):
mp-1190006
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; Pr2AlGe6; Al-Ge-Pr
OSTI Identifier:
1681446
DOI:
https://doi.org/10.17188/1681446

Citation Formats

The Materials Project. Materials Data on Pr2AlGe6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681446.
The Materials Project. Materials Data on Pr2AlGe6 by Materials Project. United States. doi:https://doi.org/10.17188/1681446
The Materials Project. 2020. "Materials Data on Pr2AlGe6 by Materials Project". United States. doi:https://doi.org/10.17188/1681446. https://www.osti.gov/servlets/purl/1681446. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681446,
title = {Materials Data on Pr2AlGe6 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2AlGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to two equivalent Al and ten Ge atoms. There are one shorter (3.39 Å) and one longer (3.41 Å) Pr–Al bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.16–3.41 Å. Al is bonded in a 5-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.56–2.67 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Pr, one Al, and two Ge atoms. There are one shorter (2.58 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Pr and two Ge atoms. The Ge–Ge bond length is 2.64 Å. In the third Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Pr, one Al, and three Ge atoms. There are one shorter (2.51 Å) and two longer (2.59 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Pr, one Al, and three Ge atoms. The Ge–Ge bond length is 2.51 Å. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Pr, one Al, and three Ge atoms. The Ge–Ge bond length is 2.52 Å.},
doi = {10.17188/1681446},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}