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Title: Materials Data on Lu5(Ge5Ir2)2 by Materials Project

Abstract

Lu5Ir4Ge10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Lu–Ir bond lengths are 3.22 Å. There are eight shorter (2.94 Å) and four longer (3.35 Å) Lu–Ge bond lengths. In the second Lu site, Lu is bonded to four equivalent Ir and eight Ge atoms to form face-sharing LuGe8Ir4 cuboctahedra. All Lu–Ir bond lengths are 3.10 Å. There are a spread of Lu–Ge bond distances ranging from 2.92–3.09 Å. In the third Lu site, Lu is bonded in a 12-coordinate geometry to four equivalent Ir and ten Ge atoms. All Lu–Ir bond lengths are 3.31 Å. There are a spread of Lu–Ge bond distances ranging from 3.26–3.39 Å. Ir is bonded in a 10-coordinate geometry to five Lu and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.47–2.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Lu, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.43 Å. Inmore » the second Ge site, Ge is bonded in a 2-coordinate geometry to five Lu, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Lu, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.84 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1196530
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; Lu5(Ge5Ir2)2; Ge-Ir-Lu
OSTI Identifier:
1679213
DOI:
https://doi.org/10.17188/1679213

Citation Formats

The Materials Project. Materials Data on Lu5(Ge5Ir2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679213.
The Materials Project. Materials Data on Lu5(Ge5Ir2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1679213
The Materials Project. 2020. "Materials Data on Lu5(Ge5Ir2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1679213. https://www.osti.gov/servlets/purl/1679213. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1679213,
title = {Materials Data on Lu5(Ge5Ir2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu5Ir4Ge10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Lu–Ir bond lengths are 3.22 Å. There are eight shorter (2.94 Å) and four longer (3.35 Å) Lu–Ge bond lengths. In the second Lu site, Lu is bonded to four equivalent Ir and eight Ge atoms to form face-sharing LuGe8Ir4 cuboctahedra. All Lu–Ir bond lengths are 3.10 Å. There are a spread of Lu–Ge bond distances ranging from 2.92–3.09 Å. In the third Lu site, Lu is bonded in a 12-coordinate geometry to four equivalent Ir and ten Ge atoms. All Lu–Ir bond lengths are 3.31 Å. There are a spread of Lu–Ge bond distances ranging from 3.26–3.39 Å. Ir is bonded in a 10-coordinate geometry to five Lu and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.47–2.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Lu, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.43 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Lu, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Lu, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.84 Å.},
doi = {10.17188/1679213},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}