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Title: Materials Data on Pr2CuGe6 by Materials Project

Abstract

Pr2CuGe6 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 10-coordinate geometry to ten Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.12–3.30 Å. In the second Pr site, Pr is bonded in a 4-coordinate geometry to four equivalent Cu and ten Ge atoms. All Pr–Cu bond lengths are 3.20 Å. There are a spread of Pr–Ge bond distances ranging from 3.16–3.38 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.38–2.45 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Pr, two equivalent Cu, and five Ge atoms. There are one shorter (2.49 Å) and four longer (2.95 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Pr and five Ge atoms. All Ge–Ge bond lengths are 2.95 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalentmore » Cu, and five Ge atoms. The Ge–Ge bond length is 2.50 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Pr and five Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Pr, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Pr and two equivalent Ge atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1206972
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Pr2CuGe6; Cu-Ge-Pr
OSTI Identifier:
1682723
DOI:
https://doi.org/10.17188/1682723

Citation Formats

The Materials Project. Materials Data on Pr2CuGe6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1682723.
The Materials Project. Materials Data on Pr2CuGe6 by Materials Project. United States. doi:https://doi.org/10.17188/1682723
The Materials Project. 2019. "Materials Data on Pr2CuGe6 by Materials Project". United States. doi:https://doi.org/10.17188/1682723. https://www.osti.gov/servlets/purl/1682723. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1682723,
title = {Materials Data on Pr2CuGe6 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2CuGe6 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 10-coordinate geometry to ten Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.12–3.30 Å. In the second Pr site, Pr is bonded in a 4-coordinate geometry to four equivalent Cu and ten Ge atoms. All Pr–Cu bond lengths are 3.20 Å. There are a spread of Pr–Ge bond distances ranging from 3.16–3.38 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.38–2.45 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Pr, two equivalent Cu, and five Ge atoms. There are one shorter (2.49 Å) and four longer (2.95 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Pr and five Ge atoms. All Ge–Ge bond lengths are 2.95 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Cu, and five Ge atoms. The Ge–Ge bond length is 2.50 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Pr and five Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Pr, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Pr and two equivalent Ge atoms.},
doi = {10.17188/1682723},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}