Materials Data on Zr7Ni10 by Materials Project
Abstract
Zr7Ni10 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are four inequivalent Zr sites. In the first Zr site, Zr is bonded in a 7-coordinate geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.71–3.30 Å. In the second Zr site, Zr is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.75–2.81 Å. In the third Zr site, Zr is bonded in a body-centered cubic geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.62–2.65 Å. In the fourth Zr site, Zr is bonded in a 8-coordinate geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.62–2.76 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to six Zr and two Ni atoms. There are one shorter (2.65 Å) and one longer (2.71 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 11-coordinate geometry to six Zr and two Ni atoms. There are one shorter (2.62 Å) and one longer (2.75 Å)more »
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1283697
- Report Number(s):
- mp-680655
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Zr7Ni10; Ni-Zr
Citation Formats
The Materials Project. Materials Data on Zr7Ni10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283697.
The Materials Project. Materials Data on Zr7Ni10 by Materials Project. United States. https://doi.org/10.17188/1283697
The Materials Project. 2020.
"Materials Data on Zr7Ni10 by Materials Project". United States. https://doi.org/10.17188/1283697. https://www.osti.gov/servlets/purl/1283697.
@article{osti_1283697,
title = {Materials Data on Zr7Ni10 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr7Ni10 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are four inequivalent Zr sites. In the first Zr site, Zr is bonded in a 7-coordinate geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.71–3.30 Å. In the second Zr site, Zr is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.75–2.81 Å. In the third Zr site, Zr is bonded in a body-centered cubic geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.62–2.65 Å. In the fourth Zr site, Zr is bonded in a 8-coordinate geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.62–2.76 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to six Zr and two Ni atoms. There are one shorter (2.65 Å) and one longer (2.71 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 11-coordinate geometry to six Zr and two Ni atoms. There are one shorter (2.62 Å) and one longer (2.75 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a 6-coordinate geometry to six Zr and two Ni atoms. There are one shorter (2.68 Å) and one longer (2.73 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to five Zr and five Ni atoms. There are one shorter (2.65 Å) and one longer (2.77 Å) Ni–Ni bond lengths. In the fifth Ni site, Ni is bonded in a 11-coordinate geometry to seven Zr and four Ni atoms.},
doi = {10.17188/1283697},
url = {https://www.osti.gov/biblio/1283697},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}