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Title: Materials Data on Yb(Al5Re)2 by Materials Project

Abstract

Yb(ReAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 2-coordinate geometry to four Re and sixteen Al atoms. There are two shorter (3.44 Å) and two longer (3.51 Å) Yb–Re bond lengths. There are a spread of Yb–Al bond distances ranging from 3.05–3.54 Å. In the second Yb site, Yb is bonded in a 4-coordinate geometry to four equivalent Re and fourteen Al atoms. All Yb–Re bond lengths are 3.53 Å. There are a spread of Yb–Al bond distances ranging from 3.11–3.30 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 10-coordinate geometry to two Yb and ten Al atoms. There are a spread of Re–Al bond distances ranging from 2.56–2.79 Å. In the second Re site, Re is bonded in a 10-coordinate geometry to two equivalent Yb and ten Al atoms. There are a spread of Re–Al bond distances ranging from 2.57–2.75 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Re, and four Al atoms.more » There are two shorter (2.75 Å) and two longer (3.10 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to one Yb, two equivalent Re, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–2.92 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Re, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–3.04 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to one Yb, two equivalent Re, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.83–3.13 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two Yb, two equivalent Re, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.59–3.01 Å. In the sixth Al site, Al is bonded in a 2-coordinate geometry to two Yb, two equivalent Re, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–3.00 Å. In the seventh Al site, Al is bonded in a 2-coordinate geometry to one Yb, two equivalent Re, and eight Al atoms. There are two shorter (2.81 Å) and two longer (3.05 Å) Al–Al bond lengths. In the eighth Al site, Al is bonded in a 10-coordinate geometry to one Yb, two equivalent Re, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–2.90 Å. In the ninth Al site, Al is bonded in a 12-coordinate geometry to two Yb, two equivalent Re, and eight Al atoms. The Al–Al bond length is 2.71 Å. In the tenth Al site, Al is bonded in a 11-coordinate geometry to one Yb, two equivalent Re, and eight Al atoms. Both Al–Al bond lengths are 2.95 Å. In the eleventh Al site, Al is bonded in a distorted linear geometry to two equivalent Yb, two Re, and four Al atoms. In the twelfth Al site, Al is bonded in a 2-coordinate geometry to one Yb, two Re, and four Al atoms.« less

Publication Date:
Other Number(s):
mp-1207715
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; Yb(Al5Re)2; Al-Re-Yb
OSTI Identifier:
1746761
DOI:
https://doi.org/10.17188/1746761

Citation Formats

The Materials Project. Materials Data on Yb(Al5Re)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746761.
The Materials Project. Materials Data on Yb(Al5Re)2 by Materials Project. United States. doi:https://doi.org/10.17188/1746761
The Materials Project. 2020. "Materials Data on Yb(Al5Re)2 by Materials Project". United States. doi:https://doi.org/10.17188/1746761. https://www.osti.gov/servlets/purl/1746761. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1746761,
title = {Materials Data on Yb(Al5Re)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb(ReAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 2-coordinate geometry to four Re and sixteen Al atoms. There are two shorter (3.44 Å) and two longer (3.51 Å) Yb–Re bond lengths. There are a spread of Yb–Al bond distances ranging from 3.05–3.54 Å. In the second Yb site, Yb is bonded in a 4-coordinate geometry to four equivalent Re and fourteen Al atoms. All Yb–Re bond lengths are 3.53 Å. There are a spread of Yb–Al bond distances ranging from 3.11–3.30 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 10-coordinate geometry to two Yb and ten Al atoms. There are a spread of Re–Al bond distances ranging from 2.56–2.79 Å. In the second Re site, Re is bonded in a 10-coordinate geometry to two equivalent Yb and ten Al atoms. There are a spread of Re–Al bond distances ranging from 2.57–2.75 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Re, and four Al atoms. There are two shorter (2.75 Å) and two longer (3.10 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to one Yb, two equivalent Re, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–2.92 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Re, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–3.04 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to one Yb, two equivalent Re, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.83–3.13 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two Yb, two equivalent Re, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.59–3.01 Å. In the sixth Al site, Al is bonded in a 2-coordinate geometry to two Yb, two equivalent Re, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–3.00 Å. In the seventh Al site, Al is bonded in a 2-coordinate geometry to one Yb, two equivalent Re, and eight Al atoms. There are two shorter (2.81 Å) and two longer (3.05 Å) Al–Al bond lengths. In the eighth Al site, Al is bonded in a 10-coordinate geometry to one Yb, two equivalent Re, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–2.90 Å. In the ninth Al site, Al is bonded in a 12-coordinate geometry to two Yb, two equivalent Re, and eight Al atoms. The Al–Al bond length is 2.71 Å. In the tenth Al site, Al is bonded in a 11-coordinate geometry to one Yb, two equivalent Re, and eight Al atoms. Both Al–Al bond lengths are 2.95 Å. In the eleventh Al site, Al is bonded in a distorted linear geometry to two equivalent Yb, two Re, and four Al atoms. In the twelfth Al site, Al is bonded in a 2-coordinate geometry to one Yb, two Re, and four Al atoms.},
doi = {10.17188/1746761},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}