U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er5Al3Ni3Ge4 by Materials Project
Abstract
Er5Ni3Al3Ge4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to four Ni, four Al, and four Ge atoms. There are a spread of Er–Ni bond distances ranging from 2.87–3.00 Å. There are two shorter (3.22 Å) and two longer (3.25 Å) Er–Al bond lengths. There are two shorter (2.90 Å) and two longer (2.95 Å) Er–Ge bond lengths. In the second Er site, Er is bonded in a 6-coordinate geometry to three equivalent Ni, two equivalent Al, and five Ge atoms. There are one shorter (2.94 Å) and two longer (3.21 Å) Er–Ni bond lengths. Both Er–Al bond lengths are 3.17 Å. There are a spread of Er–Ge bond distances ranging from 2.90–2.97 Å. In the third Er site, Er is bonded in a 5-coordinate geometry to one Ni, six Al, and four equivalent Ge atoms. The Er–Ni bond length is 2.80 Å. There are two shorter (3.21 Å) and four longer (3.22 Å) Er–Al bond lengths. All Er–Ge bond lengths are 2.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-638521
- 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; Er5Al3Ni3Ge4; Al-Er-Ge-Ni
- OSTI Identifier:
- 1279786
- DOI:
- https://doi.org/10.17188/1279786
Citation Formats
The Materials Project. Materials Data on Er5Al3Ni3Ge4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1279786.
The Materials Project. Materials Data on Er5Al3Ni3Ge4 by Materials Project. United States. doi:https://doi.org/10.17188/1279786
The Materials Project. 2020.
"Materials Data on Er5Al3Ni3Ge4 by Materials Project". United States. doi:https://doi.org/10.17188/1279786. https://www.osti.gov/servlets/purl/1279786. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1279786,
title = {Materials Data on Er5Al3Ni3Ge4 by Materials Project},
author = {The Materials Project},
abstractNote = {Er5Ni3Al3Ge4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to four Ni, four Al, and four Ge atoms. There are a spread of Er–Ni bond distances ranging from 2.87–3.00 Å. There are two shorter (3.22 Å) and two longer (3.25 Å) Er–Al bond lengths. There are two shorter (2.90 Å) and two longer (2.95 Å) Er–Ge bond lengths. In the second Er site, Er is bonded in a 6-coordinate geometry to three equivalent Ni, two equivalent Al, and five Ge atoms. There are one shorter (2.94 Å) and two longer (3.21 Å) Er–Ni bond lengths. Both Er–Al bond lengths are 3.17 Å. There are a spread of Er–Ge bond distances ranging from 2.90–2.97 Å. In the third Er site, Er is bonded in a 5-coordinate geometry to one Ni, six Al, and four equivalent Ge atoms. The Er–Ni bond length is 2.80 Å. There are two shorter (3.21 Å) and four longer (3.22 Å) Er–Al bond lengths. All Er–Ge bond lengths are 2.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to six Er and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.43–2.54 Å. In the second Ni site, Ni is bonded in a distorted q6 geometry to three Er and six Al atoms. There are four shorter (2.60 Å) and two longer (2.63 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to six Er, two equivalent Ni, two Al, and two Ge atoms to form a mixture of distorted face and edge-sharing AlEr6Al2Ni2Ge2 cuboctahedra. There are one shorter (2.72 Å) and one longer (2.73 Å) Al–Al bond lengths. Both Al–Ge bond lengths are 2.77 Å. In the second Al site, Al is bonded in a 4-coordinate geometry to six Er, two equivalent Ni, two equivalent Al, and two equivalent Ge atoms. Both Al–Ge bond lengths are 2.67 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Er, one Ni, and two Al atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to five Er, three equivalent Ni, and one Al atom.},
doi = {10.17188/1279786},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}