DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Pr3(GeRu)2 by Materials Project

Abstract

Pr3(RuGe)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 1-coordinate geometry to four equivalent Ru and five Ge atoms. There are a spread of Pr–Ru bond distances ranging from 2.92–3.19 Å. There are a spread of Pr–Ge bond distances ranging from 3.15–3.58 Å. In the second Pr site, Pr is bonded in a 9-coordinate geometry to four equivalent Ru and five Ge atoms. There are two shorter (3.14 Å) and two longer (3.25 Å) Pr–Ru bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.09–3.44 Å. Ru is bonded in a 9-coordinate geometry to six Pr and three Ge atoms. There are two shorter (2.59 Å) and one longer (2.62 Å) Ru–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Pr and two equivalent Ru atoms. In the second Ge site, Ge is bonded to eight Pr and four equivalent Ru atoms to form a mixture of distorted corner, edge, and face-sharing GePr8Ru4 cuboctahedra.

Publication Date:
Other Number(s):
mp-1193872
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; Pr3(GeRu)2; Ge-Pr-Ru
OSTI Identifier:
1748976
DOI:
https://doi.org/10.17188/1748976

Citation Formats

The Materials Project. Materials Data on Pr3(GeRu)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748976.
The Materials Project. Materials Data on Pr3(GeRu)2 by Materials Project. United States. doi:https://doi.org/10.17188/1748976
The Materials Project. 2020. "Materials Data on Pr3(GeRu)2 by Materials Project". United States. doi:https://doi.org/10.17188/1748976. https://www.osti.gov/servlets/purl/1748976. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748976,
title = {Materials Data on Pr3(GeRu)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3(RuGe)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 1-coordinate geometry to four equivalent Ru and five Ge atoms. There are a spread of Pr–Ru bond distances ranging from 2.92–3.19 Å. There are a spread of Pr–Ge bond distances ranging from 3.15–3.58 Å. In the second Pr site, Pr is bonded in a 9-coordinate geometry to four equivalent Ru and five Ge atoms. There are two shorter (3.14 Å) and two longer (3.25 Å) Pr–Ru bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.09–3.44 Å. Ru is bonded in a 9-coordinate geometry to six Pr and three Ge atoms. There are two shorter (2.59 Å) and one longer (2.62 Å) Ru–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Pr and two equivalent Ru atoms. In the second Ge site, Ge is bonded to eight Pr and four equivalent Ru atoms to form a mixture of distorted corner, edge, and face-sharing GePr8Ru4 cuboctahedra.},
doi = {10.17188/1748976},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}