Materials Data on Yb(Al5Re)2 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1746761
- Report Number(s):
- mp-1207715
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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