Materials Data on Zr5Ir3 by Materials Project
Abstract
Zr5Ir3 crystallizes in the hexagonal P6_122 space group. The structure is three-dimensional. there are four inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to four Ir atoms. There are a spread of Zr–Ir bond distances ranging from 2.74–3.00 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Zr–Ir bond distances ranging from 2.80–2.99 Å. In the third Zr site, Zr is bonded in a 5-coordinate geometry to five Ir atoms. There are four shorter (2.77 Å) and one longer (2.93 Å) Zr–Ir bond lengths. In the fourth Zr site, Zr is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Zr–Ir bond distances ranging from 2.73–2.99 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to nine Zr atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Zr atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-30749
- 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; Zr5Ir3; Ir-Zr
- OSTI Identifier:
- 1205108
- DOI:
- https://doi.org/10.17188/1205108
Citation Formats
The Materials Project. Materials Data on Zr5Ir3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205108.
The Materials Project. Materials Data on Zr5Ir3 by Materials Project. United States. doi:https://doi.org/10.17188/1205108
The Materials Project. 2020.
"Materials Data on Zr5Ir3 by Materials Project". United States. doi:https://doi.org/10.17188/1205108. https://www.osti.gov/servlets/purl/1205108. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1205108,
title = {Materials Data on Zr5Ir3 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr5Ir3 crystallizes in the hexagonal P6_122 space group. The structure is three-dimensional. there are four inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to four Ir atoms. There are a spread of Zr–Ir bond distances ranging from 2.74–3.00 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Zr–Ir bond distances ranging from 2.80–2.99 Å. In the third Zr site, Zr is bonded in a 5-coordinate geometry to five Ir atoms. There are four shorter (2.77 Å) and one longer (2.93 Å) Zr–Ir bond lengths. In the fourth Zr site, Zr is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Zr–Ir bond distances ranging from 2.73–2.99 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to nine Zr atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Zr atoms.},
doi = {10.17188/1205108},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}