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Title: Materials Data on Lu8In3Co by Materials Project

Abstract

Lu8CoIn3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 3-coordinate geometry to one Co and four equivalent In atoms. The Lu–Co bond length is 2.82 Å. There are two shorter (3.20 Å) and two longer (3.72 Å) Lu–In bond lengths. In the second Lu site, Lu is bonded in a 4-coordinate geometry to one Co and four equivalent In atoms. The Lu–Co bond length is 2.75 Å. There are a spread of Lu–In bond distances ranging from 3.03–3.70 Å. In the third Lu site, Lu is bonded to one Co and three equivalent In atoms to form distorted corner-sharing LuIn3Co tetrahedra. The corner-sharing octahedra tilt angles range from 14–47°. The Lu–Co bond length is 2.64 Å. All Lu–In bond lengths are 3.14 Å. In the fourth Lu site, Lu is bonded to six equivalent In atoms to form distorted LuIn6 octahedra that share corners with six equivalent LuIn3Co tetrahedra and faces with two equivalent LuIn6 octahedra. There are three shorter (3.30 Å) and three longer (3.40 Å) Lu–In bond lengths. Co is bonded in a 7-coordinate geometry to seven Lu atoms.more » In is bonded in a 11-coordinate geometry to eleven Lu atoms.« less

Publication Date:
Other Number(s):
mp-1190756
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; Lu8In3Co; Co-In-Lu
OSTI Identifier:
1727468
DOI:
https://doi.org/10.17188/1727468

Citation Formats

The Materials Project. Materials Data on Lu8In3Co by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727468.
The Materials Project. Materials Data on Lu8In3Co by Materials Project. United States. doi:https://doi.org/10.17188/1727468
The Materials Project. 2020. "Materials Data on Lu8In3Co by Materials Project". United States. doi:https://doi.org/10.17188/1727468. https://www.osti.gov/servlets/purl/1727468. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1727468,
title = {Materials Data on Lu8In3Co by Materials Project},
author = {The Materials Project},
abstractNote = {Lu8CoIn3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 3-coordinate geometry to one Co and four equivalent In atoms. The Lu–Co bond length is 2.82 Å. There are two shorter (3.20 Å) and two longer (3.72 Å) Lu–In bond lengths. In the second Lu site, Lu is bonded in a 4-coordinate geometry to one Co and four equivalent In atoms. The Lu–Co bond length is 2.75 Å. There are a spread of Lu–In bond distances ranging from 3.03–3.70 Å. In the third Lu site, Lu is bonded to one Co and three equivalent In atoms to form distorted corner-sharing LuIn3Co tetrahedra. The corner-sharing octahedra tilt angles range from 14–47°. The Lu–Co bond length is 2.64 Å. All Lu–In bond lengths are 3.14 Å. In the fourth Lu site, Lu is bonded to six equivalent In atoms to form distorted LuIn6 octahedra that share corners with six equivalent LuIn3Co tetrahedra and faces with two equivalent LuIn6 octahedra. There are three shorter (3.30 Å) and three longer (3.40 Å) Lu–In bond lengths. Co is bonded in a 7-coordinate geometry to seven Lu atoms. In is bonded in a 11-coordinate geometry to eleven Lu atoms.},
doi = {10.17188/1727468},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}