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Title: Materials Data on Lu4CuGe8 by Materials Project

Abstract

Lu4CuGe8 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.93–3.19 Å. In the second Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.90–3.09 Å. In the third Lu site, Lu is bonded in a 8-coordinate geometry to four equivalent Cu and ten Ge atoms. All Lu–Cu bond lengths are 3.07 Å. There are a spread of Lu–Ge bond distances ranging from 3.02–3.37 Å. In the fourth Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.93–3.22 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Lu and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.32–2.46 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Lu, two equivalent Cu, and four equivalent Ge atoms. All Ge–Ge bondmore » lengths are 2.81 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four Lu and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.82 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Lu, two equivalent Cu, and four equivalent Ge atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four Lu and four equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Lu, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Lu and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to six Lu and two equivalent Ge atoms. In the eighth Ge site, Ge is bonded in a 4-coordinate geometry to six Lu and two equivalent Ge atoms.« less

Publication Date:
Other Number(s):
mp-1222658
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; Lu4CuGe8; Cu-Ge-Lu
OSTI Identifier:
1651473
DOI:
https://doi.org/10.17188/1651473

Citation Formats

The Materials Project. Materials Data on Lu4CuGe8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1651473.
The Materials Project. Materials Data on Lu4CuGe8 by Materials Project. United States. doi:https://doi.org/10.17188/1651473
The Materials Project. 2019. "Materials Data on Lu4CuGe8 by Materials Project". United States. doi:https://doi.org/10.17188/1651473. https://www.osti.gov/servlets/purl/1651473. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1651473,
title = {Materials Data on Lu4CuGe8 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu4CuGe8 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.93–3.19 Å. In the second Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.90–3.09 Å. In the third Lu site, Lu is bonded in a 8-coordinate geometry to four equivalent Cu and ten Ge atoms. All Lu–Cu bond lengths are 3.07 Å. There are a spread of Lu–Ge bond distances ranging from 3.02–3.37 Å. In the fourth Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.93–3.22 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Lu and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.32–2.46 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Lu, two equivalent Cu, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.81 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four Lu and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.82 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Lu, two equivalent Cu, and four equivalent Ge atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four Lu and four equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Lu, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Lu and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the seventh Ge site, Ge is bonded in a 8-coordinate geometry to six Lu and two equivalent Ge atoms. In the eighth Ge site, Ge is bonded in a 4-coordinate geometry to six Lu and two equivalent Ge atoms.},
doi = {10.17188/1651473},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}