U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr6Ni16Ge7 by Materials Project
Abstract
Zr6Ni16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to eight Ni and four equivalent Ge atoms. There are four shorter (2.83 Å) and four longer (2.84 Å) Zr–Ni bond lengths. All Zr–Ge bond lengths are 2.97 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to three equivalent Zr, six Ni, and four Ge atoms. There are three shorter (2.62 Å) and three longer (2.77 Å) Ni–Ni bond lengths. There are one shorter (2.40 Å) and three longer (2.58 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Zr, six Ni, and three equivalent Ge atoms. All Ni–Ni bond lengths are 2.68 Å. All Ni–Ge bond lengths are 2.39 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. In the second Ge site, Ge is bonded to four equivalent Zr and eight Ni atoms to form a mixture of corner and face-sharing GeZr4Ni8 cuboctahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-672651
- 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; Zr6Ni16Ge7; Ge-Ni-Zr
- OSTI Identifier:
- 1281886
- DOI:
- https://doi.org/10.17188/1281886
Citation Formats
The Materials Project. Materials Data on Zr6Ni16Ge7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1281886.
The Materials Project. Materials Data on Zr6Ni16Ge7 by Materials Project. United States. doi:https://doi.org/10.17188/1281886
The Materials Project. 2020.
"Materials Data on Zr6Ni16Ge7 by Materials Project". United States. doi:https://doi.org/10.17188/1281886. https://www.osti.gov/servlets/purl/1281886. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1281886,
title = {Materials Data on Zr6Ni16Ge7 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr6Ni16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to eight Ni and four equivalent Ge atoms. There are four shorter (2.83 Å) and four longer (2.84 Å) Zr–Ni bond lengths. All Zr–Ge bond lengths are 2.97 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to three equivalent Zr, six Ni, and four Ge atoms. There are three shorter (2.62 Å) and three longer (2.77 Å) Ni–Ni bond lengths. There are one shorter (2.40 Å) and three longer (2.58 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Zr, six Ni, and three equivalent Ge atoms. All Ni–Ni bond lengths are 2.68 Å. All Ni–Ge bond lengths are 2.39 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. In the second Ge site, Ge is bonded to four equivalent Zr and eight Ni atoms to form a mixture of corner and face-sharing GeZr4Ni8 cuboctahedra.},
doi = {10.17188/1281886},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}