U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er4(Al8Pd3)3 by Materials Project
Abstract
Er4(Pd3Al8)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to six Pd and eleven Al atoms. There are a spread of Er–Pd bond distances ranging from 3.30–3.54 Å. There are a spread of Er–Al bond distances ranging from 3.08–3.25 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to six Pd and eleven Al atoms. There are a spread of Er–Pd bond distances ranging from 3.30–3.54 Å. There are a spread of Er–Al bond distances ranging from 3.07–3.24 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to two Er and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.52–2.74 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to two Er and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.53–2.76 Å. In the third Pd site, Pd is bonded in a 8-coordinate geometry to four Er and eight Al atoms. There are a spread of Pd–Al bond distances rangingmore »
- Publication Date:
- Other Number(s):
- mp-1212881
- 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; Al-Er-Pd; Er4(Al8Pd3)3; crystal structure
- OSTI Identifier:
- 1665168
- DOI:
- https://doi.org/10.17188/1665168
Citation Formats
Materials Data on Er4(Al8Pd3)3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1665168.
Materials Data on Er4(Al8Pd3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1665168
2019.
"Materials Data on Er4(Al8Pd3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1665168. https://www.osti.gov/servlets/purl/1665168. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1665168,
title = {Materials Data on Er4(Al8Pd3)3 by Materials Project},
abstractNote = {Er4(Pd3Al8)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to six Pd and eleven Al atoms. There are a spread of Er–Pd bond distances ranging from 3.30–3.54 Å. There are a spread of Er–Al bond distances ranging from 3.08–3.25 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to six Pd and eleven Al atoms. There are a spread of Er–Pd bond distances ranging from 3.30–3.54 Å. There are a spread of Er–Al bond distances ranging from 3.07–3.24 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to two Er and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.52–2.74 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to two Er and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.53–2.76 Å. In the third Pd site, Pd is bonded in a 8-coordinate geometry to four Er and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.58–2.61 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to two Er and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.53–2.76 Å. In the fifth Pd site, Pd is bonded in a 8-coordinate geometry to four Er and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.54–2.63 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three Er and three Pd atoms. In the second Al site, Al is bonded to four Pd atoms to form distorted AlPd4 tetrahedra that share corners with six AlErPd4 tetrahedra and edges with three AlPd4 tetrahedra. In the third Al site, Al is bonded to one Er and four Pd atoms to form a mixture of distorted edge and corner-sharing AlErPd4 tetrahedra. In the fourth Al site, Al is bonded in a 3-coordinate geometry to two Er and three Pd atoms. In the fifth Al site, Al is bonded in a 3-coordinate geometry to two Er and three Pd atoms. In the sixth Al site, Al is bonded in a 3-coordinate geometry to two Er and three Pd atoms. In the seventh Al site, Al is bonded in a 3-coordinate geometry to three Er and three Pd atoms. In the eighth Al site, Al is bonded in a 3-coordinate geometry to two Er and three Pd atoms. In the ninth Al site, Al is bonded to one Er and four Pd atoms to form a mixture of distorted edge and corner-sharing AlErPd4 tetrahedra. In the tenth Al site, Al is bonded in a 2-coordinate geometry to two Er and two Pd atoms. In the eleventh Al site, Al is bonded in a 2-coordinate geometry to two Er and two Pd atoms. In the twelfth Al site, Al is bonded in a 2-coordinate geometry to two Er and two Pd atoms.},
doi = {10.17188/1665168},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 11 23:00:00 EST 2019},
month = {Fri Jan 11 23:00:00 EST 2019}
}