U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta6Si7Ni16 by Materials Project
Abstract
Ta6Ni16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a 12-coordinate geometry to eight Ni and four equivalent Si atoms. There are four shorter (2.69 Å) and four longer (2.75 Å) Ta–Ni bond lengths. All Ta–Si bond lengths are 2.86 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ta, six Ni, and three equivalent Si atoms. There are three shorter (2.56 Å) and three longer (2.63 Å) Ni–Ni bond lengths. All Ni–Si bond lengths are 2.29 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to three equivalent Ta, six Ni, and four Si atoms. All Ni–Ni bond lengths are 2.62 Å. There are one shorter (2.27 Å) and three longer (2.49 Å) Ni–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. In the second Si site, Si is bonded to four equivalent Ta and eight Ni atoms to form a mixture of corner and face-sharing SiTa4Ni8 cuboctahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-4502
- 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; Ta6Si7Ni16; Ni-Si-Ta
- OSTI Identifier:
- 1208216
- DOI:
- https://doi.org/10.17188/1208216
Citation Formats
The Materials Project. Materials Data on Ta6Si7Ni16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208216.
The Materials Project. Materials Data on Ta6Si7Ni16 by Materials Project. United States. doi:https://doi.org/10.17188/1208216
The Materials Project. 2020.
"Materials Data on Ta6Si7Ni16 by Materials Project". United States. doi:https://doi.org/10.17188/1208216. https://www.osti.gov/servlets/purl/1208216. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1208216,
title = {Materials Data on Ta6Si7Ni16 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta6Ni16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a 12-coordinate geometry to eight Ni and four equivalent Si atoms. There are four shorter (2.69 Å) and four longer (2.75 Å) Ta–Ni bond lengths. All Ta–Si bond lengths are 2.86 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ta, six Ni, and three equivalent Si atoms. There are three shorter (2.56 Å) and three longer (2.63 Å) Ni–Ni bond lengths. All Ni–Si bond lengths are 2.29 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to three equivalent Ta, six Ni, and four Si atoms. All Ni–Ni bond lengths are 2.62 Å. There are one shorter (2.27 Å) and three longer (2.49 Å) Ni–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. In the second Si site, Si is bonded to four equivalent Ta and eight Ni atoms to form a mixture of corner and face-sharing SiTa4Ni8 cuboctahedra.},
doi = {10.17188/1208216},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 24 00:00:00 EDT 2020},
month = {Fri Jul 24 00:00:00 EDT 2020}
}