Materials Data on Dy2Al5Fe12 by Materials Project
Abstract
Dy2Fe12Al5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are a spread of Dy–Fe bond distances ranging from 2.89–3.29 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to twelve Fe and eight Al atoms. There are a spread of Dy–Fe bond distances ranging from 3.01–3.19 Å. There are a spread of Dy–Al bond distances ranging from 2.95–3.24 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three Dy, six Fe, and three Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.45–2.55 Å. There are two shorter (2.49 Å) and one longer (2.69 Å) Fe–Al bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three Dy, six Fe, and three Al atoms. There are two shorter (2.54 Å) and two longer (2.56 Å) Fe–Fe bond lengths. There are two shorter (2.49 Å) and one longer (2.69 Å) Fe–Al bond lengths. In the third Fe site, Fe is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1197186
- 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; Dy2Al5Fe12; Al-Dy-Fe
- OSTI Identifier:
- 1753205
- DOI:
- https://doi.org/10.17188/1753205
Citation Formats
The Materials Project. Materials Data on Dy2Al5Fe12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1753205.
The Materials Project. Materials Data on Dy2Al5Fe12 by Materials Project. United States. doi:https://doi.org/10.17188/1753205
The Materials Project. 2020.
"Materials Data on Dy2Al5Fe12 by Materials Project". United States. doi:https://doi.org/10.17188/1753205. https://www.osti.gov/servlets/purl/1753205. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1753205,
title = {Materials Data on Dy2Al5Fe12 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2Fe12Al5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are a spread of Dy–Fe bond distances ranging from 2.89–3.29 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to twelve Fe and eight Al atoms. There are a spread of Dy–Fe bond distances ranging from 3.01–3.19 Å. There are a spread of Dy–Al bond distances ranging from 2.95–3.24 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three Dy, six Fe, and three Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.45–2.55 Å. There are two shorter (2.49 Å) and one longer (2.69 Å) Fe–Al bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three Dy, six Fe, and three Al atoms. There are two shorter (2.54 Å) and two longer (2.56 Å) Fe–Fe bond lengths. There are two shorter (2.49 Å) and one longer (2.69 Å) Fe–Al bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two Dy, six Fe, and four Al atoms. There are one shorter (2.54 Å) and one longer (2.80 Å) Fe–Fe bond lengths. There are two shorter (2.52 Å) and two longer (2.94 Å) Fe–Al bond lengths. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to two Dy, six Fe, and four Al atoms. There are one shorter (2.54 Å) and one longer (2.80 Å) Fe–Fe bond lengths. There are two shorter (2.52 Å) and two longer (2.94 Å) Fe–Al bond lengths. In the fifth Fe site, Fe is bonded in a 12-coordinate geometry to two Dy, six Fe, and four Al atoms. There are two shorter (2.52 Å) and two longer (2.94 Å) Fe–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to one Dy, nine Fe, and four Al atoms. There are one shorter (2.45 Å) and three longer (2.62 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy, eight Fe, and two equivalent Al atoms. In the third Al site, Al is bonded to two equivalent Dy, eight Fe, and two equivalent Al atoms to form distorted face-sharing AlDy2Al2Fe8 cuboctahedra.},
doi = {10.17188/1753205},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jun 04 00:00:00 EDT 2020},
month = {Thu Jun 04 00:00:00 EDT 2020}
}