U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AlSi9Ni16 by Materials Project
Abstract
Ni16AlSi9 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are eleven inequivalent Ni+2.06+ sites. In the first Ni+2.06+ site, Ni+2.06+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.33–2.55 Å. In the second Ni+2.06+ site, Ni+2.06+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.31–2.55 Å. In the third Ni+2.06+ site, Ni+2.06+ is bonded in a distorted rectangular see-saw-like geometry to four Si4- atoms. There are two shorter (2.37 Å) and two longer (2.42 Å) Ni–Si bond lengths. In the fourth Ni+2.06+ site, Ni+2.06+ is bonded in a 2-coordinate geometry to five Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.20–2.68 Å. In the fifth Ni+2.06+ site, Ni+2.06+ is bonded to four Si4- atoms to form distorted NiSi4 tetrahedra that share a cornercorner with one SiSiNi11 cuboctahedra and an edgeedge with one NiSi4 tetrahedra. There are a spread of Ni–Si bond distances ranging from 2.30–2.43 Å. In the sixth Ni+2.06+ site, Ni+2.06+ is bonded in a distorted pentagonal planar geometry to five Si4- atoms. There are a spreadmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1228673
- 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; AlSi9Ni16; Al-Ni-Si
- OSTI Identifier:
- 1722114
- DOI:
- https://doi.org/10.17188/1722114
Citation Formats
The Materials Project. Materials Data on AlSi9Ni16 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1722114.
The Materials Project. Materials Data on AlSi9Ni16 by Materials Project. United States. doi:https://doi.org/10.17188/1722114
The Materials Project. 2019.
"Materials Data on AlSi9Ni16 by Materials Project". United States. doi:https://doi.org/10.17188/1722114. https://www.osti.gov/servlets/purl/1722114. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1722114,
title = {Materials Data on AlSi9Ni16 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni16AlSi9 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are eleven inequivalent Ni+2.06+ sites. In the first Ni+2.06+ site, Ni+2.06+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.33–2.55 Å. In the second Ni+2.06+ site, Ni+2.06+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.31–2.55 Å. In the third Ni+2.06+ site, Ni+2.06+ is bonded in a distorted rectangular see-saw-like geometry to four Si4- atoms. There are two shorter (2.37 Å) and two longer (2.42 Å) Ni–Si bond lengths. In the fourth Ni+2.06+ site, Ni+2.06+ is bonded in a 2-coordinate geometry to five Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.20–2.68 Å. In the fifth Ni+2.06+ site, Ni+2.06+ is bonded to four Si4- atoms to form distorted NiSi4 tetrahedra that share a cornercorner with one SiSiNi11 cuboctahedra and an edgeedge with one NiSi4 tetrahedra. There are a spread of Ni–Si bond distances ranging from 2.30–2.43 Å. In the sixth Ni+2.06+ site, Ni+2.06+ is bonded in a distorted pentagonal planar geometry to five Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.34–2.49 Å. In the seventh Ni+2.06+ site, Ni+2.06+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.26–2.63 Å. In the eighth Ni+2.06+ site, Ni+2.06+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.29–2.59 Å. In the ninth Ni+2.06+ site, Ni+2.06+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.29–2.82 Å. In the tenth Ni+2.06+ site, Ni+2.06+ is bonded in a distorted pentagonal planar geometry to five Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.30–2.57 Å. In the eleventh Ni+2.06+ site, Ni+2.06+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.33–2.61 Å. Al3+ is bonded in a 2-coordinate geometry to two equivalent Si4- atoms. Both Al–Si bond lengths are 2.83 Å. There are five inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 8-coordinate geometry to seven Ni+2.06+ and one Al3+ atom. In the second Si4- site, Si4- is bonded to eleven Ni+2.06+ and one Si4- atom to form distorted SiSiNi11 cuboctahedra that share a cornercorner with one NiSi4 tetrahedra, an edgeedge with one SiSiNi11 cuboctahedra, and a faceface with one SiSiNi11 cuboctahedra. The Si–Si bond length is 2.59 Å. In the third Si4- site, Si4- is bonded in a 10-coordinate geometry to eight Ni+2.06+ atoms. In the fourth Si4- site, Si4- is bonded in a 9-coordinate geometry to nine Ni+2.06+ atoms. In the fifth Si4- site, Si4- is bonded in a 7-coordinate geometry to nine Ni+2.06+ atoms.},
doi = {10.17188/1722114},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}