U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr6Si7Ni16 by Materials Project
Abstract
Zr6Ni16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr2+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Zr–Si bond lengths are 2.91 Å. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Ni–Si bond lengths are 2.34 Å. In the second Ni1+ site, Ni1+ is bonded to four Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.53 Å) Ni–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four equivalent Zr2+ and eight Ni1+ atoms to form a mixture of corner and face-sharing SiZr4Ni8 cuboctahedra. In the second Si4- site, Si4- is bonded in a body-centered cubic geometry to eight equivalent Ni1+ atoms.
- Publication Date:
- Other Number(s):
- mp-570166
- 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; Ni-Si-Zr; Zr6Si7Ni16; crystal structure
- OSTI Identifier:
- 1275553
- DOI:
- https://doi.org/10.17188/1275553
Citation Formats
Materials Data on Zr6Si7Ni16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275553.
Materials Data on Zr6Si7Ni16 by Materials Project. United States. doi:https://doi.org/10.17188/1275553
2020.
"Materials Data on Zr6Si7Ni16 by Materials Project". United States. doi:https://doi.org/10.17188/1275553. https://www.osti.gov/servlets/purl/1275553. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1275553,
title = {Materials Data on Zr6Si7Ni16 by Materials Project},
abstractNote = {Zr6Ni16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr2+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Zr–Si bond lengths are 2.91 Å. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Ni–Si bond lengths are 2.34 Å. In the second Ni1+ site, Ni1+ is bonded to four Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.53 Å) Ni–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four equivalent Zr2+ and eight Ni1+ atoms to form a mixture of corner and face-sharing SiZr4Ni8 cuboctahedra. In the second Si4- site, Si4- is bonded in a body-centered cubic geometry to eight equivalent Ni1+ atoms.},
doi = {10.17188/1275553},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}