U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Th2(Al3Ni2)5 by Materials Project
Abstract
Th2Ni10Al15 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eight Ni and ten Al atoms. There are a spread of Th–Ni bond distances ranging from 3.05–3.38 Å. There are a spread of Th–Al bond distances ranging from 3.18–3.43 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Th, one Ni, and six Al atoms. The Ni–Ni bond length is 2.54 Å. There are a spread of Ni–Al bond distances ranging from 2.40–2.51 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Th and eight Al atoms. There are a spread of Ni–Al bond distances ranging from 2.44–2.65 Å. In the third Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Th, two equivalent Ni, and two equivalent Al atoms. Both Ni–Al bond lengths are 2.45 Å. In the fourth Ni site, Ni is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Ni–Al bond distances ranging from 2.55–2.65 Å. There are five inequivalent Al sites. In the first Al site, Almore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1192626
- 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; Th2(Al3Ni2)5; Al-Ni-Th
- OSTI Identifier:
- 1732995
- DOI:
- https://doi.org/10.17188/1732995
Citation Formats
The Materials Project. Materials Data on Th2(Al3Ni2)5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1732995.
The Materials Project. Materials Data on Th2(Al3Ni2)5 by Materials Project. United States. doi:https://doi.org/10.17188/1732995
The Materials Project. 2020.
"Materials Data on Th2(Al3Ni2)5 by Materials Project". United States. doi:https://doi.org/10.17188/1732995. https://www.osti.gov/servlets/purl/1732995. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1732995,
title = {Materials Data on Th2(Al3Ni2)5 by Materials Project},
author = {The Materials Project},
abstractNote = {Th2Ni10Al15 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eight Ni and ten Al atoms. There are a spread of Th–Ni bond distances ranging from 3.05–3.38 Å. There are a spread of Th–Al bond distances ranging from 3.18–3.43 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Th, one Ni, and six Al atoms. The Ni–Ni bond length is 2.54 Å. There are a spread of Ni–Al bond distances ranging from 2.40–2.51 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Th and eight Al atoms. There are a spread of Ni–Al bond distances ranging from 2.44–2.65 Å. In the third Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Th, two equivalent Ni, and two equivalent Al atoms. Both Ni–Al bond lengths are 2.45 Å. In the fourth Ni site, Ni is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Ni–Al bond distances ranging from 2.55–2.65 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to three equivalent Th and four Ni atoms. In the second Al site, Al is bonded in a distorted body-centered cubic geometry to four equivalent Ni and four equivalent Al atoms. All Al–Al bond lengths are 2.48 Å. In the third Al site, Al is bonded in a 4-coordinate geometry to one Th, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.74 Å. In the fourth Al site, Al is bonded in a 4-coordinate geometry to four Ni and seven Al atoms. There are one shorter (2.67 Å) and two longer (2.80 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 4-coordinate geometry to one Th, four Ni, and two Al atoms.},
doi = {10.17188/1732995},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}