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Title: Materials Data on Pr2Ge6Au by Materials Project

Abstract

Pr2AuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to four equivalent Au and ten Ge atoms. All Pr–Au bond lengths are 3.26 Å. There are a spread of Pr–Ge bond distances ranging from 3.22–3.52 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.12–3.24 Å. Au is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Au–Ge bond distances ranging from 2.51–2.60 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six Pr and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Pr and five Ge atoms. There are one shorter (2.50 Å) and four longer (2.99 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Pr, one Au, and two equivalent Gemore » atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Au, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the fifth Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Au, and one Ge atom. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Pr and five Ge atoms.« less

Publication Date:
Other Number(s):
mp-1209737
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; Pr2Ge6Au; Au-Ge-Pr
OSTI Identifier:
1729474
DOI:
https://doi.org/10.17188/1729474

Citation Formats

The Materials Project. Materials Data on Pr2Ge6Au by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729474.
The Materials Project. Materials Data on Pr2Ge6Au by Materials Project. United States. doi:https://doi.org/10.17188/1729474
The Materials Project. 2019. "Materials Data on Pr2Ge6Au by Materials Project". United States. doi:https://doi.org/10.17188/1729474. https://www.osti.gov/servlets/purl/1729474. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1729474,
title = {Materials Data on Pr2Ge6Au by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2AuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to four equivalent Au and ten Ge atoms. All Pr–Au bond lengths are 3.26 Å. There are a spread of Pr–Ge bond distances ranging from 3.22–3.52 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.12–3.24 Å. Au is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Au–Ge bond distances ranging from 2.51–2.60 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six Pr and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Pr and five Ge atoms. There are one shorter (2.50 Å) and four longer (2.99 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Pr, one Au, and two equivalent Ge atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Au, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the fifth Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Au, and one Ge atom. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Pr and five Ge atoms.},
doi = {10.17188/1729474},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}