U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GdFe11W by Materials Project
Abstract
GdWFe11 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to one W and nineteen Fe atoms. The Gd–W bond length is 3.20 Å. There are a spread of Gd–Fe bond distances ranging from 3.01–3.26 Å. W is bonded in a 1-coordinate geometry to one Gd and thirteen Fe atoms. There are a spread of W–Fe bond distances ranging from 2.36–2.88 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Gd and ten Fe atoms to form distorted FeGd2Fe10 cuboctahedra that share corners with eight equivalent FeGd2Fe9W cuboctahedra, edges with six FeGd2Fe10 cuboctahedra, and faces with eight equivalent FeGd2Fe9W cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.43–2.73 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Gd, two equivalent W, and eight Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.43–2.71 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Gd, one W, and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.43–2.64 Å. Inmore »
- Publication Date:
- Other Number(s):
- mp-1225192
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Fe-Gd-W; GdFe11W; crystal structure
- OSTI Identifier:
- 1652854
- DOI:
- https://doi.org/10.17188/1652854
Citation Formats
Materials Data on GdFe11W by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1652854.
Materials Data on GdFe11W by Materials Project. United States. doi:https://doi.org/10.17188/1652854
2019.
"Materials Data on GdFe11W by Materials Project". United States. doi:https://doi.org/10.17188/1652854. https://www.osti.gov/servlets/purl/1652854. Pub date:Sat Jan 12 23:00:00 EST 2019
@article{osti_1652854,
title = {Materials Data on GdFe11W by Materials Project},
abstractNote = {GdWFe11 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to one W and nineteen Fe atoms. The Gd–W bond length is 3.20 Å. There are a spread of Gd–Fe bond distances ranging from 3.01–3.26 Å. W is bonded in a 1-coordinate geometry to one Gd and thirteen Fe atoms. There are a spread of W–Fe bond distances ranging from 2.36–2.88 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Gd and ten Fe atoms to form distorted FeGd2Fe10 cuboctahedra that share corners with eight equivalent FeGd2Fe9W cuboctahedra, edges with six FeGd2Fe10 cuboctahedra, and faces with eight equivalent FeGd2Fe9W cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.43–2.73 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Gd, two equivalent W, and eight Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.43–2.71 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Gd, one W, and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.43–2.64 Å. In the fourth Fe site, Fe is bonded to two equivalent Gd, one W, and nine Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeGd2Fe9W cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.35–2.62 Å. In the fifth Fe site, Fe is bonded in a distorted single-bond geometry to one Gd, one W, and twelve Fe atoms. All Fe–Fe bond lengths are 2.91 Å. In the sixth Fe site, Fe is bonded in a 12-coordinate geometry to one Gd, two equivalent W, and eleven Fe atoms. The Fe–Fe bond length is 2.39 Å.},
doi = {10.17188/1652854},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}